3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

C18H21ClN2O3 — CID 71913623

IUPAC3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCOc1cccc(Cl)c1CNc1cccc(C(=O)NCCO)c1C
InChIInChI=1S/C18H21ClN2O3/c1-12-13(18(23)20-9-10-22)5-3-7-16(12)21-11-14-15(19)6-4-8-17(14)24-2/h3-8,21-22H,9-11H2,1-2H3,(H,20,23)
InChIKeyUSVSNCNMDXSFPQ-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.99
Rot. Bonds7

About 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 71913623) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID71913623
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCOc1cccc(Cl)c1CNc1cccc(C(=O)NCCO)c1C
InChIInChI=1S/C18H21ClN2O3/c1-12-13(18(23)20-9-10-22)5-3-7-16(12)21-11-14-15(19)6-4-8-17(14)24-2/h3-8,21-22H,9-11H2,1-2H3,(H,20,23)
InChIKeyUSVSNCNMDXSFPQ-UHFFFAOYSA-N
XLogP2.99
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
CID 110018799
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906161
3-[(3-chloro-4-fluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480054
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 104815836
3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480053
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 71913623) is 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is COc1cccc(Cl)c1CNc1cccc(C(=O)NCCO)c1C.
What is the InChIKey of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is USVSNCNMDXSFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-13(18(23)20-9-10-22)5-3-7-16(12)21-11-14-15(19)6-4-8-17(14)24-2/h3-8,21-22H,9-11H2,1-2H3,(H,20,23).
What are the key properties of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 348.83 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 71913623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).