2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide

C18H21ClN2O — CID 112980356

IUPAC2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
SMILESCC(C)CNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O/c1-13(2)12-20-16-7-9-17(10-8-16)21-18(22)11-14-3-5-15(19)6-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyZWXVRESZUPKQHK-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide (PubChem CID 112980356) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
PubChem CID112980356
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
SMILESCC(C)CNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O/c1-13(2)12-20-16-7-9-17(10-8-16)21-18(22)11-14-3-5-15(19)6-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyZWXVRESZUPKQHK-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
4-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887548

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide (CID 112980356) is 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide is CC(C)CNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide?
The InChIKey is ZWXVRESZUPKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(2)12-20-16-7-9-17(10-8-16)21-18(22)11-14-3-5-15(19)6-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide has a molecular weight of 316.83 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide is sourced from PubChem (CID 112980356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).