2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide

C22H19BrN2O2 — CID 4935078

IUPAC2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C22H19BrN2O2/c1-15(16-9-3-2-4-10-16)24-22(27)18-12-6-8-14-20(18)25-21(26)17-11-5-7-13-19(17)23/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyROHMVQNEESSHBG-UHFFFAOYSA-N
MW423.31 g/mol
LogP5.19
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide

2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide (PubChem CID 4935078) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
PubChem CID4935078
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C22H19BrN2O2/c1-15(16-9-3-2-4-10-16)24-22(27)18-12-6-8-14-20(18)25-21(26)17-11-5-7-13-19(17)23/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyROHMVQNEESSHBG-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935158
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide (CID 4935078) is 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
The InChIKey is ROHMVQNEESSHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-15(16-9-3-2-4-10-16)24-22(27)18-12-6-8-14-20(18)25-21(26)17-11-5-7-13-19(17)23/h2-15H,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide has a molecular weight of 423.31 g/mol, XLogP of 5.19, 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-(1-phenylethyl)benzamide is sourced from PubChem (CID 4935078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).