2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide

C22H19BrN2O2 — CID 32892148

IUPAC2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19BrN2O2/c1-25(15-16-11-13-18(23)14-12-16)22(27)19-9-5-6-10-20(19)24-21(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)
InChIKeyCVSMRKQYHACKGE-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.97
Rot. Bonds5

About 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide

2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide (PubChem CID 32892148) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
PubChem CID32892148
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19BrN2O2/c1-25(15-16-11-13-18(23)14-12-16)22(27)19-9-5-6-10-20(19)24-21(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)
InChIKeyCVSMRKQYHACKGE-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
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3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
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2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
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2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
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2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796586
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-benzyl-N-methyl-2-[[4-(pentanoylamino)benzoyl]amino]benzamide
CID 17312196
N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide
CID 17355287
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
N-benzyl-2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-methylbenzamide
CID 17139628
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CID 30877774

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide (CID 32892148) is 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
The InChIKey is CVSMRKQYHACKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-25(15-16-11-13-18(23)14-12-16)22(27)19-9-5-6-10-20(19)24-21(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide has a molecular weight of 423.31 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 32892148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).