(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide

C16H16ClNO — CID 56610654

IUPAC(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
SMILESC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-12(10-13-6-3-2-4-7-13)16(19)18-15-9-5-8-14(17)11-15/h2-9,11-12H,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWFWJKUABYZNQMT-LBPRGKRZSA-N
MW273.76 g/mol
LogP4.16
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide

(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide (PubChem CID 56610654) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
PubChem CID56610654
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
SMILESC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-12(10-13-6-3-2-4-7-13)16(19)18-15-9-5-8-14(17)11-15/h2-9,11-12H,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWFWJKUABYZNQMT-LBPRGKRZSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
CID 154984717
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide (CID 56610654) is (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide is C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is WFWJKUABYZNQMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(10-13-6-3-2-4-7-13)16(19)18-15-9-5-8-14(17)11-15/h2-9,11-12H,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide?
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 273.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 56610654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).