(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide

C16H15Cl2NO — CID 1122017

IUPAC(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO/c1-11(12-6-3-2-4-7-12)10-15(20)19-14-9-5-8-13(17)16(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLULJILBQVSPFSK-NSHDSACASA-N
MW308.21 g/mol
LogP5.13
Rot. Bonds4

About (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide

(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide (PubChem CID 1122017) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
PubChem CID1122017
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO/c1-11(12-6-3-2-4-7-12)10-15(20)19-14-9-5-8-13(17)16(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLULJILBQVSPFSK-NSHDSACASA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
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N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
(2R)-4-(2,3-dichloroanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid
CID 40609007
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362554
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide?
The IUPAC name of (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide (CID 1122017) is (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide?
The canonical SMILES for (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide is C[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide?
The InChIKey is LULJILBQVSPFSK-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11(12-6-3-2-4-7-12)10-15(20)19-14-9-5-8-13(17)16(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide?
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide has a molecular weight of 308.21 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide is sourced from PubChem (CID 1122017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).