1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid

C30H31Cl2F3N2O3 — CID 69206431

IUPAC1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C1(Nc2ccccc2)CCCC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H30Cl2N2O.C2HF3O2/c1-20(31-27(33)28(17-5-6-18-28)32-25-7-3-2-4-8-25)26(22-11-15-24(30)16-12-22)19-21-9-13-23(29)14-10-21;3-2(4,5)1(6)7/h2-4,7-16,20,26,32H,5-6,17-19H2,1H3,(H,31,33);(H,6,7)
InChIKeySNLBOAIXFNKKLV-UHFFFAOYSA-N
MW595.49 g/mol
LogP7.88
Rot. Bonds8

About 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid

1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69206431) has the molecular formula C30H31Cl2F3N2O3 and a molecular weight of 595.49 g/mol. Its IUPAC name is 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69206431
Molecular FormulaC30H31Cl2F3N2O3
Molecular Weight595.49 g/mol
Exact Mass594.17
IUPAC Name1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C1(Nc2ccccc2)CCCC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H30Cl2N2O.C2HF3O2/c1-20(31-27(33)28(17-5-6-18-28)32-25-7-3-2-4-8-25)26(22-11-15-24(30)16-12-22)19-21-9-13-23(29)14-10-21;3-2(4,5)1(6)7/h2-4,7-16,20,26,32H,5-6,17-19H2,1H3,(H,31,33);(H,6,7)
InChIKeySNLBOAIXFNKKLV-UHFFFAOYSA-N
XLogP7.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.49
LogP ≤ 57.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid 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

N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-1-pyridin-1-ium-3-ylcyclopentane-1-carboxamide
CID 59789549
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
1-(5-bromo-3-pyridinyl)-N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 10217932
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]pyridin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
CID 162337049
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 10025786
6-chloro-N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-3H-1,4-benzodioxine-2-carboxamide
CID 68673856
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
N-[(3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-1-methylcyclobutane-1-carboxamide
CID 69205441

Frequently Asked Questions

What is the IUPAC name of 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 69206431) is 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid is CC(NC(=O)C1(Nc2ccccc2)CCCC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SNLBOAIXFNKKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O.C2HF3O2/c1-20(31-27(33)28(17-5-6-18-28)32-25-7-3-2-4-8-25)26(22-11-15-24(30)16-12-22)19-21-9-13-23(29)14-10-21;3-2(4,5)1(6)7/h2-4,7-16,20,26,32H,5-6,17-19H2,1H3,(H,31,33);(H,6,7).
What are the key properties of 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 595.49 g/mol, XLogP of 7.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69206431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).