N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide

C21H18BrNO3 — CID 1288452

IUPACN-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1
InChIInChI=1S/C21H18BrNO3/c1-25-20-13-16(21(24)23-18-10-6-5-9-17(18)22)11-12-19(20)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyVFLMFRZXEWRFSG-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.29
Rot. Bonds6

About N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide

N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 1288452) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
PubChem CID1288452
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC NameN-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1
InChIInChI=1S/C21H18BrNO3/c1-25-20-13-16(21(24)23-18-10-6-5-9-17(18)22)11-12-19(20)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyVFLMFRZXEWRFSG-UHFFFAOYSA-N
XLogP5.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34876331
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 75453681
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24681669
N-[2-(2-cyanopropylsulfanyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86900057
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide (CID 1288452) is N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is VFLMFRZXEWRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3/c1-25-20-13-16(21(24)23-18-10-6-5-9-17(18)22)11-12-19(20)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide?
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 412.28 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 1288452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).