3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide

C21H17Cl2NO2 — CID 23019932

IUPAC3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(NCc1cc(Cl)ccc1OCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C21H17Cl2NO2/c22-18-8-4-7-16(11-18)21(25)24-13-17-12-19(23)9-10-20(17)26-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)
InChIKeyAVTKNPOALJGFAP-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.50
Rot. Bonds6

About 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide

3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 23019932) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
PubChem CID23019932
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(NCc1cc(Cl)ccc1OCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C21H17Cl2NO2/c22-18-8-4-7-16(11-18)21(25)24-13-17-12-19(23)9-10-20(17)26-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)
InChIKeyAVTKNPOALJGFAP-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019842
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 19288491
3-chloro-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4938260
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide (CID 23019932) is 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide is O=C(NCc1cc(Cl)ccc1OCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is AVTKNPOALJGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c22-18-8-4-7-16(11-18)21(25)24-13-17-12-19(23)9-10-20(17)26-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide?
3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 386.28 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 23019932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).