N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide

C21H18BrNO2 — CID 2952126

IUPACN-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2ccc(Br)cc2)c1
InChIInChI=1S/C21H18BrNO2/c1-25-19-9-5-8-17(14-19)21(24)23-20(15-6-3-2-4-7-15)16-10-12-18(22)13-11-16/h2-14,20H,1H3,(H,23,24)
InChIKeyUZNUUXOTNVDAQH-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.98
Rot. Bonds5

About N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide

N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide (PubChem CID 2952126) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
PubChem CID2952126
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC NameN-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2ccc(Br)cc2)c1
InChIInChI=1S/C21H18BrNO2/c1-25-19-9-5-8-17(14-19)21(24)23-20(15-6-3-2-4-7-15)16-10-12-18(22)13-11-16/h2-14,20H,1H3,(H,23,24)
InChIKeyUZNUUXOTNVDAQH-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 17435888
3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 40789490
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
CID 55824777
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
CID 134050485
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide?
The IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide (CID 2952126) is N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(c2ccccc2)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide?
The InChIKey is UZNUUXOTNVDAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c1-25-19-9-5-8-17(14-19)21(24)23-20(15-6-3-2-4-7-15)16-10-12-18(22)13-11-16/h2-14,20H,1H3,(H,23,24).
What are the key properties of N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide?
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide has a molecular weight of 396.28 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide is sourced from PubChem (CID 2952126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).