(2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide

C33H28ClF7N2O2 — CID 143473827

IUPAC(2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C(=O)N[C@](Cc1cccc(Cl)c1)(C1=C/C=C/CCC\C=N\1)c1cc(F)cc(C(F)(F)F)c1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C33H28ClF7N2O2/c1-45-31(33(39,40)41,23-12-6-5-7-13-23)29(44)43-30(21-22-11-10-14-26(34)17-22,28-15-8-3-2-4-9-16-42-28)24-18-25(32(36,37)38)20-27(35)19-24/h3,5-8,10-20H,2,4,9,21H2,1H3,(H,43,44)/b8-3+,28-15-,42-16+/t30-,31-/m0/s1
InChIKeySOUDFGVLTZKEAB-UCMTWHDCSA-N
MW653.04 g/mol
LogP8.85
Rot. Bonds8

About (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide

(2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide (PubChem CID 143473827) has the molecular formula C33H28ClF7N2O2 and a molecular weight of 653.04 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
PubChem CID143473827
Molecular FormulaC33H28ClF7N2O2
Molecular Weight653.04 g/mol
Exact Mass652.17
IUPAC Name(2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C(=O)N[C@](Cc1cccc(Cl)c1)(C1=C/C=C/CCC\C=N\1)c1cc(F)cc(C(F)(F)F)c1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C33H28ClF7N2O2/c1-45-31(33(39,40)41,23-12-6-5-7-13-23)29(44)43-30(21-22-11-10-14-26(34)17-22,28-15-8-3-2-4-9-16-42-28)24-18-25(32(36,37)38)20-27(35)19-24/h3,5-8,10-20H,2,4,9,21H2,1H3,(H,43,44)/b8-3+,28-15-,42-16+/t30-,31-/m0/s1
InChIKeySOUDFGVLTZKEAB-UCMTWHDCSA-N
XLogP8.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.04
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-cyanophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 58919933
(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3,3-difluoro-2-methoxy-2-phenylbutanamide
CID 58920058
(2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 58920935
(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 58920599
1-[2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea
CID 73317531
1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920749
1-[2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 73317529
cyclopentyl N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]carbamate
CID 58920196
2-methoxyethyl N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]carbamate
CID 58920721
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-methylpropan-1-amine
CID 58920848
N-[(1S)-1-[(2E,7Z)-5,6-dihydro-4H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 143473619
[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]urea
CID 162540699

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide (CID 143473827) is (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide is CO[C@](C(=O)N[C@](Cc1cccc(Cl)c1)(C1=C/C=C/CCC\C=N\1)c1cc(F)cc(C(F)(F)F)c1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The InChIKey is SOUDFGVLTZKEAB-UCMTWHDCSA-N. The full InChI is InChI=1S/C33H28ClF7N2O2/c1-45-31(33(39,40)41,23-12-6-5-7-13-23)29(44)43-30(21-22-11-10-14-26(34)17-22,28-15-8-3-2-4-9-16-42-28)24-18-25(32(36,37)38)20-27(35)19-24/h3,5-8,10-20H,2,4,9,21H2,1H3,(H,43,44)/b8-3+,28-15-,42-16+/t30-,31-/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
(2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide has a molecular weight of 653.04 g/mol, XLogP of 8.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-(3-chlorophenyl)-1-[(6E,8Z)-4,5-dihydro-3H-azonin-9-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 143473827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).