N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide

C20H15BrClNO2 — CID 19916424

IUPACN-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H15BrClNO2/c21-16-5-3-6-17(12-16)23-20(24)14-8-10-18(11-9-14)25-13-15-4-1-2-7-19(15)22/h1-12H,13H2,(H,23,24)
InChIKeyCJLHCIYBYFEPRL-UHFFFAOYSA-N
MW416.70 g/mol
LogP5.93
Rot. Bonds5

About N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide

N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide (PubChem CID 19916424) has the molecular formula C20H15BrClNO2 and a molecular weight of 416.70 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide
PubChem CID19916424
Molecular FormulaC20H15BrClNO2
Molecular Weight416.70 g/mol
Exact Mass415.00
IUPAC NameN-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H15BrClNO2/c21-16-5-3-6-17(12-16)23-20(24)14-8-10-18(11-9-14)25-13-15-4-1-2-7-19(15)22/h1-12H,13H2,(H,23,24)
InChIKeyCJLHCIYBYFEPRL-UHFFFAOYSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8813273
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide (CID 19916424) is N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide is O=C(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide?
The InChIKey is CJLHCIYBYFEPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO2/c21-16-5-3-6-17(12-16)23-20(24)14-8-10-18(11-9-14)25-13-15-4-1-2-7-19(15)22/h1-12H,13H2,(H,23,24).
What are the key properties of N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide?
N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide has a molecular weight of 416.70 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 19916424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).