(2S)-N-benzhydryl-2-chloropropanamide

C16H16ClNO — CID 2113355

IUPAC(2S)-N-benzhydryl-2-chloropropanamide
SMILESC[C@H](Cl)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(17)16(19)18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)/t12-/m0/s1
InChIKeyILGVBQOLUMYGSZ-LBPRGKRZSA-N
MW273.76 g/mol
LogP3.52
Rot. Bonds4

About (2S)-N-benzhydryl-2-chloropropanamide

(2S)-N-benzhydryl-2-chloropropanamide (PubChem CID 2113355) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-chloropropanamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-chloropropanamide
PubChem CID2113355
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(2S)-N-benzhydryl-2-chloropropanamide
SMILESC[C@H](Cl)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(17)16(19)18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)/t12-/m0/s1
InChIKeyILGVBQOLUMYGSZ-LBPRGKRZSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]propanamide
CID 15495992
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
N-benzhydryl-2,2,2-trichloroacetamide
CID 3685786

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-chloropropanamide?
The IUPAC name of (2S)-N-benzhydryl-2-chloropropanamide (CID 2113355) is (2S)-N-benzhydryl-2-chloropropanamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-chloropropanamide?
The canonical SMILES for (2S)-N-benzhydryl-2-chloropropanamide is C[C@H](Cl)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-benzhydryl-2-chloropropanamide?
The InChIKey is ILGVBQOLUMYGSZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(17)16(19)18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-chloropropanamide?
(2S)-N-benzhydryl-2-chloropropanamide has a molecular weight of 273.76 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-2-chloropropanamide is sourced from PubChem (CID 2113355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).