3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide

C21H19ClN2O2 — CID 112982654

IUPAC3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-26-20-8-3-2-5-16(20)14-23-18-9-11-19(12-10-18)24-21(25)15-6-4-7-17(22)13-15/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyLRCIQUSEAAGXHL-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.21
Rot. Bonds6

About 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide

3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide (PubChem CID 112982654) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
PubChem CID112982654
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-26-20-8-3-2-5-16(20)14-23-18-9-11-19(12-10-18)24-21(25)15-6-4-7-17(22)13-15/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyLRCIQUSEAAGXHL-UHFFFAOYSA-N
XLogP5.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982662
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide (CID 112982654) is 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide is COc1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
The InChIKey is LRCIQUSEAAGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-26-20-8-3-2-5-16(20)14-23-18-9-11-19(12-10-18)24-21(25)15-6-4-7-17(22)13-15/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide has a molecular weight of 366.85 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).