3-bromo-N-(2-phenylmethoxyphenyl)benzamide

C20H16BrNO2 — CID 54790844

IUPAC3-bromo-N-(2-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1OCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C20H16BrNO2/c21-17-10-6-9-16(13-17)20(23)22-18-11-4-5-12-19(18)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,23)
InChIKeyLJNAAIGKTJBFDZ-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.28
Rot. Bonds5

About 3-bromo-N-(2-phenylmethoxyphenyl)benzamide

3-bromo-N-(2-phenylmethoxyphenyl)benzamide (PubChem CID 54790844) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-bromo-N-(2-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-phenylmethoxyphenyl)benzamide
PubChem CID54790844
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name3-bromo-N-(2-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1OCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C20H16BrNO2/c21-17-10-6-9-16(13-17)20(23)22-18-11-4-5-12-19(18)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,23)
InChIKeyLJNAAIGKTJBFDZ-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
1-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-3-(2-ethoxyphenyl)thiourea
CID 19581760
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-phenylmethoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(2-phenylmethoxyphenyl)benzamide (CID 54790844) is 3-bromo-N-(2-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-phenylmethoxyphenyl)benzamide is O=C(Nc1ccccc1OCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-phenylmethoxyphenyl)benzamide?
The InChIKey is LJNAAIGKTJBFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2/c21-17-10-6-9-16(13-17)20(23)22-18-11-4-5-12-19(18)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,23).
What are the key properties of 3-bromo-N-(2-phenylmethoxyphenyl)benzamide?
3-bromo-N-(2-phenylmethoxyphenyl)benzamide has a molecular weight of 382.26 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 54790844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).