(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide

C17H16ClF2NO — CID 7958855

IUPAC(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF2NO/c1-10(2)16(11-3-5-12(18)6-4-11)17(22)21-15-9-13(19)7-8-14(15)20/h3-10,16H,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyYDOKVOCOJKRZFC-INIZCTEOSA-N
MW323.77 g/mol
LogP5.00
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide

(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide (PubChem CID 7958855) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
PubChem CID7958855
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF2NO/c1-10(2)16(11-3-5-12(18)6-4-11)17(22)21-15-9-13(19)7-8-14(15)20/h3-10,16H,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyYDOKVOCOJKRZFC-INIZCTEOSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 115609317
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 2457506

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide (CID 7958855) is (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide is CC(C)[C@H](C(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide?
The InChIKey is YDOKVOCOJKRZFC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c1-10(2)16(11-3-5-12(18)6-4-11)17(22)21-15-9-13(19)7-8-14(15)20/h3-10,16H,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide has a molecular weight of 323.77 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 7958855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).