N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide

C21H17BrN2O3 — CID 2214535

IUPACN-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c1-27-19-12-4-15(5-13-19)21(26)23-17-8-2-14(3-9-17)20(25)24-18-10-6-16(22)7-11-18/h2-13H,1H3,(H,23,26)(H,24,25)
InChIKeyOGXMEMZDJUCOHS-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.96
Rot. Bonds5

About N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide

N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 2214535) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
PubChem CID2214535
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC NameN-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c1-27-19-12-4-15(5-13-19)21(26)23-17-8-2-14(3-9-17)20(25)24-18-10-6-16(22)7-11-18/h2-13H,1H3,(H,23,26)(H,24,25)
InChIKeyOGXMEMZDJUCOHS-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

(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide (CID 2214535) is N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is OGXMEMZDJUCOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-27-19-12-4-15(5-13-19)21(26)23-17-8-2-14(3-9-17)20(25)24-18-10-6-16(22)7-11-18/h2-13H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide?
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]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 N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 2214535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).