2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide

C22H19BrN2O2 — CID 54790772

IUPAC2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C22H19BrN2O2/c1-15(16-8-3-2-4-9-16)24-22(27)19-12-5-6-13-20(19)25-21(26)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyKGRQICMXHKBVCB-UHFFFAOYSA-N
MW423.31 g/mol
LogP5.19
Rot. Bonds5

About 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide

2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide (PubChem CID 54790772) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
PubChem CID54790772
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C22H19BrN2O2/c1-15(16-8-3-2-4-9-16)24-22(27)19-12-5-6-13-20(19)25-21(26)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyKGRQICMXHKBVCB-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-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935158
2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7758774
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide (CID 54790772) is 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
The InChIKey is KGRQICMXHKBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-15(16-8-3-2-4-9-16)24-22(27)19-12-5-6-13-20(19)25-21(26)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide?
2-[(3-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-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54790772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).