N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C20H24ClNO — CID 162646835

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO/c1-14(2)12-16-4-8-18(9-5-16)15(3)20(23)22-13-17-6-10-19(21)11-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyMODKAOYHTKDSLJ-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.96
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 162646835) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID162646835
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO/c1-14(2)12-16-4-8-18(9-5-16)15(3)20(23)22-13-17-6-10-19(21)11-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyMODKAOYHTKDSLJ-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 139075875
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
CID 54782012
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 837870
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 162646835) is N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is MODKAOYHTKDSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-14(2)12-16-4-8-18(9-5-16)15(3)20(23)22-13-17-6-10-19(21)11-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 329.87 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 162646835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).