N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide

C23H16ClF4N3O2 — CID 139430925

IUPACN-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESN#Cc1ccc(NC(=O)C(O)(CNc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C23H16ClF4N3O2/c24-20-11-19(8-1-14(20)12-29)31-21(32)22(33,13-30-18-9-6-17(25)7-10-18)15-2-4-16(5-3-15)23(26,27)28/h1-11,30,33H,13H2,(H,31,32)
InChIKeyHDTOWWMWHVKVRM-UHFFFAOYSA-N
MW477.85 g/mol
LogP5.31
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide

N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 139430925) has the molecular formula C23H16ClF4N3O2 and a molecular weight of 477.85 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID139430925
Molecular FormulaC23H16ClF4N3O2
Molecular Weight477.85 g/mol
Exact Mass477.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESN#Cc1ccc(NC(=O)C(O)(CNc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C23H16ClF4N3O2/c24-20-11-19(8-1-14(20)12-29)31-21(32)22(33,13-30-18-9-6-17(25)7-10-18)15-2-4-16(5-3-15)23(26,27)28/h1-11,30,33H,13H2,(H,31,32)
InChIKeyHDTOWWMWHVKVRM-UHFFFAOYSA-N
XLogP5.31
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.85
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butylsulfonyl-N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 71660208
N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide
CID 56646100
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide
CID 25094855
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 56645908
N-(3-chloro-4-cyanophenyl)-3-(6-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640054
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
3-tert-butylsulfonyl-2-(4-chlorophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 71660091
2,2,2-trifluoroethyl N-(3-chloro-4-cyanophenyl)carbamate
CID 43168455
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoro-1H-pyrazol-5-yl)-2-hydroxy-2-methylpropanamide
CID 166772647
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 71046957

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide (CID 139430925) is N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide is N#Cc1ccc(NC(=O)C(O)(CNc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HDTOWWMWHVKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF4N3O2/c24-20-11-19(8-1-14(20)12-29)31-21(32)22(33,13-30-18-9-6-17(25)7-10-18)15-2-4-16(5-3-15)23(26,27)28/h1-11,30,33H,13H2,(H,31,32).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide?
N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 477.85 g/mol, XLogP of 5.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 139430925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).