N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide

C15H15ClN2O2 — CID 107622226

IUPACN-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H15ClN2O2/c1-17-13-6-4-3-5-11(13)15(19)18-10-7-8-12(16)14(9-10)20-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyAQECRNASUFKDCT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.64
Rot. Bonds4

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

N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide (PubChem CID 107622226) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
PubChem CID107622226
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H15ClN2O2/c1-17-13-6-4-3-5-11(13)15(19)18-10-7-8-12(16)14(9-10)20-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyAQECRNASUFKDCT-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide (CID 107622226) is N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide?
The InChIKey is AQECRNASUFKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-17-13-6-4-3-5-11(13)15(19)18-10-7-8-12(16)14(9-10)20-2/h3-9,17H,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide?
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide has a molecular weight of 290.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 107622226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).