N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide

C27H24F5N3O4 — CID 158279988

IUPACN-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(C(=O)Cc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H24F5N3O4/c1-16(35-6-8-38-9-7-35)26(37)34-23-13-18(3-5-25(23)39-27(30,31)32)24(36)10-17-2-4-22(33-15-17)19-11-20(28)14-21(29)12-19/h2-5,11-16H,6-10H2,1H3,(H,34,37)
InChIKeyGKCBAIIYXRASOM-UHFFFAOYSA-N
MW549.50 g/mol
LogP5.01
Rot. Bonds8

About N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide

N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide (PubChem CID 158279988) has the molecular formula C27H24F5N3O4 and a molecular weight of 549.50 g/mol. Its IUPAC name is N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
PubChem CID158279988
Molecular FormulaC27H24F5N3O4
Molecular Weight549.50 g/mol
Exact Mass549.17
IUPAC NameN-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(C(=O)Cc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H24F5N3O4/c1-16(35-6-8-38-9-7-35)26(37)34-23-13-18(3-5-25(23)39-27(30,31)32)24(36)10-17-2-4-22(33-15-17)19-11-20(28)14-21(29)12-19/h2-5,11-16H,6-10H2,1H3,(H,34,37)
InChIKeyGKCBAIIYXRASOM-UHFFFAOYSA-N
XLogP5.01
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160702086
N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 118385748
tert-butyl N-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamate
CID 118393080
tert-butyl-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 129021633
2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 160817530
N-[5-[7-(5-fluoro-3-pyridinyl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 138504930
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]-2-oxoethyl]-2-(trifluoromethoxy)phenyl]-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide
CID 147356457
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 90463129
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide (CID 158279988) is N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1cc(C(=O)Cc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The InChIKey is GKCBAIIYXRASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F5N3O4/c1-16(35-6-8-38-9-7-35)26(37)34-23-13-18(3-5-25(23)39-27(30,31)32)24(36)10-17-2-4-22(33-15-17)19-11-20(28)14-21(29)12-19/h2-5,11-16H,6-10H2,1H3,(H,34,37).
What are the key properties of N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide has a molecular weight of 549.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 158279988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).