N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

C24H22ClNO — CID 42657096

IUPACN-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H22ClNO/c1-19(16-20-10-4-2-5-11-20)17-26(18-21-12-6-3-7-13-21)24(27)22-14-8-9-15-23(22)25/h2-16H,17-18H2,1H3/b19-16+
InChIKeyYOUWOGMLESRSGB-KNTRCKAVSA-N
MW375.90 g/mol
LogP6.09
Rot. Bonds6

About N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (PubChem CID 42657096) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
PubChem CID42657096
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC NameN-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H22ClNO/c1-19(16-20-10-4-2-5-11-20)17-26(18-21-12-6-3-7-13-21)24(27)22-14-8-9-15-23(22)25/h2-16H,17-18H2,1H3/b19-16+
InChIKeyYOUWOGMLESRSGB-KNTRCKAVSA-N
XLogP6.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697725
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
[4-[[benzyl-(2-chlorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3909217
2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide
CID 142238359
N-benzyl-2-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4297414
4-ethyl-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 73074312
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 6173194
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (CID 42657096) is N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is C/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The InChIKey is YOUWOGMLESRSGB-KNTRCKAVSA-N. The full InChI is InChI=1S/C24H22ClNO/c1-19(16-20-10-4-2-5-11-20)17-26(18-21-12-6-3-7-13-21)24(27)22-14-8-9-15-23(22)25/h2-16H,17-18H2,1H3/b19-16+.
What are the key properties of N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide has a molecular weight of 375.90 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 42657096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).