2-[(3-bromobenzoyl)amino]-N-phenylbenzamide

C20H15BrN2O2 — CID 54790950

IUPAC2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C20H15BrN2O2/c21-15-8-6-7-14(13-15)19(24)23-18-12-5-4-11-17(18)20(25)22-16-9-2-1-3-10-16/h1-13H,(H,22,25)(H,23,24)
InChIKeyXNAGRACRKKVREB-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.95
Rot. Bonds4

About 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide

2-[(3-bromobenzoyl)amino]-N-phenylbenzamide (PubChem CID 54790950) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
PubChem CID54790950
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C20H15BrN2O2/c21-15-8-6-7-14(13-15)19(24)23-18-12-5-4-11-17(18)20(25)22-16-9-2-1-3-10-16/h1-13H,(H,22,25)(H,23,24)
InChIKeyXNAGRACRKKVREB-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide
CID 60607763
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3,5-dichloro-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17133465
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide (CID 54790950) is 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide is O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide?
The InChIKey is XNAGRACRKKVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c21-15-8-6-7-14(13-15)19(24)23-18-12-5-4-11-17(18)20(25)22-16-9-2-1-3-10-16/h1-13H,(H,22,25)(H,23,24).
What are the key properties of 2-[(3-bromobenzoyl)amino]-N-phenylbenzamide?
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide has a molecular weight of 395.26 g/mol, XLogP of 4.95, 4 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-phenylbenzamide is sourced from PubChem (CID 54790950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).