(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide

C15H22ClNO — CID 15533413

IUPAC(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](Cl)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H22ClNO/c1-11(2)17(12(3)4)15(18)14(16)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3/t14-/m0/s1
InChIKeyIAVKHXMNXYUFOV-AWEZNQCLSA-N
MW267.80 g/mol
LogP3.48
Rot. Bonds5

About (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide

(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide (PubChem CID 15533413) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
PubChem CID15533413
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](Cl)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H22ClNO/c1-11(2)17(12(3)4)15(18)14(16)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3/t14-/m0/s1
InChIKeyIAVKHXMNXYUFOV-AWEZNQCLSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
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N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
3-chloro-2-oxo-4-phenylbutanoic acid
CID 165024954
2-chloro-4,4-dimethyl-1-phenylpentan-3-one
CID 82184980
azane;methyl (2R)-2-chloro-3-phenylpropanoate
CID 135340026
4-chloro-2-methyl-1-phenylpentan-3-one
CID 15444575
3-chloro-2-methylidene-4-phenylbutanoic acid
CID 23372429
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
tert-butyl (2S)-2-[(2-chloro-3-phenylpropanoyl)amino]propanoate
CID 101443573

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide (CID 15533413) is (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](Cl)Cc1ccccc1)C(C)C.
What is the InChIKey of (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is IAVKHXMNXYUFOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)17(12(3)4)15(18)14(16)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide?
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 267.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 15533413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).