2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

C21H17BrN2O3 — CID 3704326

IUPAC2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c1-27-17-12-10-16(11-13-17)23-20(25)14-6-8-15(9-7-14)24-21(26)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyHKKDFCGCRNJDHG-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.96
Rot. Bonds5

About 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 3704326) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID3704326
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c1-27-17-12-10-16(11-13-17)23-20(25)14-6-8-15(9-7-14)24-21(26)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyHKKDFCGCRNJDHG-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 17204993
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
CID 23848830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 3704326) is 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1.
What is the InChIKey of 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is HKKDFCGCRNJDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-27-17-12-10-16(11-13-17)23-20(25)14-6-8-15(9-7-14)24-21(26)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3704326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).