N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide

C18H20ClNO — CID 114300302

IUPACN-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C18H20ClNO/c1-14-6-5-9-16(10-14)12-18(21)20-17(13-19)11-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H,20,21)
InChIKeyWNQDEFOKLVCORF-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.50
Rot. Bonds6

About N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide

N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 114300302) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID114300302
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C18H20ClNO/c1-14-6-5-9-16(10-14)12-18(21)20-17(13-19)11-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H,20,21)
InChIKeyWNQDEFOKLVCORF-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.50
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

4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
N-(1-chloro-3-phenylpropan-2-yl)-3,3-dimethylbutanamide
CID 114300429
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 114211535
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide (CID 114300302) is N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC(CCl)Cc2ccccc2)c1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is WNQDEFOKLVCORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-14-6-5-9-16(10-14)12-18(21)20-17(13-19)11-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H,20,21).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide?
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 301.82 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 114300302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).