2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide

C22H19BrN2O3 — CID 26549860

IUPAC2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H19BrN2O3/c1-28-16-12-10-15(11-13-16)14-24-21(26)18-7-3-5-9-20(18)25-22(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDESOXTZMFKGAKK-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.64
Rot. Bonds6

About 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide

2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 26549860) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID26549860
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H19BrN2O3/c1-28-16-12-10-15(11-13-16)14-24-21(26)18-7-3-5-9-20(18)25-22(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDESOXTZMFKGAKK-UHFFFAOYSA-N
XLogP4.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60553703
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706709
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide (CID 26549860) is 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is DESOXTZMFKGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-28-16-12-10-15(11-13-16)14-24-21(26)18-7-3-5-9-20(18)25-22(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide?
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 26549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).