N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide

C28H22Br2N2O3 — CID 3633923

IUPACN-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccc(Br)cc1)c1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C28H22Br2N2O3/c1-35-26-9-5-3-7-24(26)28(34)32(18-19-10-12-20(29)13-11-19)25-8-4-2-6-23(25)27(33)31-22-16-14-21(30)15-17-22/h2-17H,18H2,1H3,(H,31,33)
InChIKeyGRAXWYLWILSEHH-UHFFFAOYSA-N
MW594.30 g/mol
LogP7.32
Rot. Bonds7

About N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide

N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide (PubChem CID 3633923) has the molecular formula C28H22Br2N2O3 and a molecular weight of 594.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide
PubChem CID3633923
Molecular FormulaC28H22Br2N2O3
Molecular Weight594.30 g/mol
Exact Mass592.00
IUPAC NameN-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccc(Br)cc1)c1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C28H22Br2N2O3/c1-35-26-9-5-3-7-24(26)28(34)32(18-19-10-12-20(29)13-11-19)25-8-4-2-6-23(25)27(33)31-22-16-14-21(30)15-17-22/h2-17H,18H2,1H3,(H,31,33)
InChIKeyGRAXWYLWILSEHH-UHFFFAOYSA-N
XLogP7.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.30
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-(2,2,2-trichloroacetyl)amino]-N-phenylbenzamide
CID 5181300
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide
CID 3550753
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-benzyl-2-[[2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]benzoyl]amino]benzamide
CID 4022125
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17229681
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide
CID 66715123

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide (CID 3633923) is N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide is COc1ccccc1C(=O)N(Cc1ccc(Br)cc1)c1ccccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide?
The InChIKey is GRAXWYLWILSEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Br2N2O3/c1-35-26-9-5-3-7-24(26)28(34)32(18-19-10-12-20(29)13-11-19)25-8-4-2-6-23(25)27(33)31-22-16-14-21(30)15-17-22/h2-17H,18H2,1H3,(H,31,33).
What are the key properties of N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide?
N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide has a molecular weight of 594.30 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-bromophenyl)methyl-(2-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 3633923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).