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

C20H14BrClN2O2 — CID 23848830

IUPAC2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C20H14BrClN2O2/c21-16-6-2-1-5-15(16)20(26)23-14-11-9-13(10-12-14)19(25)24-18-8-4-3-7-17(18)22/h1-12H,(H,23,26)(H,24,25)
InChIKeyCYGNUSIORWBUOE-UHFFFAOYSA-N
MW429.70 g/mol
LogP5.61
Rot. Bonds4

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

2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide (PubChem CID 23848830) has the molecular formula C20H14BrClN2O2 and a molecular weight of 429.70 g/mol. Its IUPAC name is 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
PubChem CID23848830
Molecular FormulaC20H14BrClN2O2
Molecular Weight429.70 g/mol
Exact Mass427.99
IUPAC Name2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C20H14BrClN2O2/c21-16-6-2-1-5-15(16)20(26)23-14-11-9-13(10-12-14)19(25)24-18-8-4-3-7-17(18)22/h1-12H,(H,23,26)(H,24,25)
InChIKeyCYGNUSIORWBUOE-UHFFFAOYSA-N
XLogP5.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.70
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 78791778
N-[4-[(2-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 56688132
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
2-bromo-N-(4-carbamothioylphenyl)benzamide
CID 24690668
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
N-(2-chlorophenyl)-4-(ethylamino)benzamide
CID 62167613
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 78791161
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide (CID 23848830) is 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide is O=C(Nc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide?
The InChIKey is CYGNUSIORWBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O2/c21-16-6-2-1-5-15(16)20(26)23-14-11-9-13(10-12-14)19(25)24-18-8-4-3-7-17(18)22/h1-12H,(H,23,26)(H,24,25).
What are the key properties of 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide?
2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide has a molecular weight of 429.70 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 23848830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).