N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide

C22H19ClN2O2 — CID 22291056

IUPACN-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C22H19ClN2O2/c1-15-7-12-19(24-21(26)17-5-3-2-4-6-17)13-20(15)25-22(27)18-10-8-16(14-23)9-11-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeySJHSUFSMADXQHD-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.24
Rot. Bonds5

About N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide

N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide (PubChem CID 22291056) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
PubChem CID22291056
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C22H19ClN2O2/c1-15-7-12-19(24-21(26)17-5-3-2-4-6-17)13-20(15)25-22(27)18-10-8-16(14-23)9-11-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeySJHSUFSMADXQHD-UHFFFAOYSA-N
XLogP5.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847
3-(chloromethyl)-N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]benzamide
CID 22291059
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
4-[[4-(chloromethyl)benzoyl]amino]-3-methylbenzoic acid
CID 43701836
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide?
The IUPAC name of N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide (CID 22291056) is N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide.
What is the SMILES notation for N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide?
The canonical SMILES for N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide?
The InChIKey is SJHSUFSMADXQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-15-7-12-19(24-21(26)17-5-3-2-4-6-17)13-20(15)25-22(27)18-10-8-16(14-23)9-11-18/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide?
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide has a molecular weight of 378.86 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide is sourced from PubChem (CID 22291056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).