3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide

C21H17BrN2O3 — CID 118722824

IUPAC3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1
InChIInChI=1S/C21H17BrN2O3/c1-27-19-10-8-14(9-11-19)20(25)23-17-6-3-7-18(13-17)24-21(26)15-4-2-5-16(22)12-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyZSVXSGNTYRBHGW-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.96
Rot. Bonds5

About 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide

3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide (PubChem CID 118722824) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
PubChem CID118722824
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1
InChIInChI=1S/C21H17BrN2O3/c1-27-19-10-8-14(9-11-19)20(25)23-17-6-3-7-18(13-17)24-21(26)15-4-2-5-16(22)12-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyZSVXSGNTYRBHGW-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide (CID 118722824) is 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1.
What is the InChIKey of 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide?
The InChIKey is ZSVXSGNTYRBHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-27-19-10-8-14(9-11-19)20(25)23-17-6-3-7-18(13-17)24-21(26)15-4-2-5-16(22)12-15/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide?
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 118722824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).