2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide

C22H19BrN2O2 — CID 1313742

IUPAC2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H19BrN2O2/c1-2-15-11-13-16(14-12-15)24-22(27)18-8-4-6-10-20(18)25-21(26)17-7-3-5-9-19(17)23/h3-14H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyDEZLXIBHNBHPJF-UHFFFAOYSA-N
MW423.31 g/mol
LogP5.52
Rot. Bonds5

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

2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide (PubChem CID 1313742) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
PubChem CID1313742
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H19BrN2O2/c1-2-15-11-13-16(14-12-15)24-22(27)18-8-4-6-10-20(18)25-21(26)17-7-3-5-9-19(17)23/h3-14H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyDEZLXIBHNBHPJF-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 78791161
2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide
CID 169357769
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 78791778
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
CID 23848830
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
CID 9399855
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide (CID 1313742) is 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide?
The InChIKey is DEZLXIBHNBHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-2-15-11-13-16(14-12-15)24-22(27)18-8-4-6-10-20(18)25-21(26)17-7-3-5-9-19(17)23/h3-14H,2H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide?
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide has a molecular weight of 423.31 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 1313742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).