N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide

C18H17ClN2O3 — CID 166413859

IUPACN-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2OC)cc1
InChIInChI=1S/C18H17ClN2O3/c1-4-16(22)21(2)13-10-8-12(9-11-13)18(23)20-15-7-5-6-14(19)17(15)24-3/h4-11H,1H2,2-3H3,(H,20,23)
InChIKeyMASDJHFYGQJSKW-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.75
Rot. Bonds5

About N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide

N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166413859) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166413859
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2OC)cc1
InChIInChI=1S/C18H17ClN2O3/c1-4-16(22)21(2)13-10-8-12(9-11-13)18(23)20-15-7-5-6-14(19)17(15)24-3/h4-11H,1H2,2-3H3,(H,20,23)
InChIKeyMASDJHFYGQJSKW-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
CID 47382946
3-chloro-5-[[4-[methyl(prop-2-enoyl)amino]benzoyl]amino]benzamide
CID 166414265
N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167804046
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
N-(2-chlorophenyl)-4-[ethyl(methyl)amino]benzamide
CID 86865212
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
N-(1-methoxyhex-5-yn-3-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413920
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
4-[methyl(prop-2-enoyl)amino]-N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 167966657
3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86837941

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166413859) is N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2OC)cc1.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is MASDJHFYGQJSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-4-16(22)21(2)13-10-8-12(9-11-13)18(23)20-15-7-5-6-14(19)17(15)24-3/h4-11H,1H2,2-3H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 344.80 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166413859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).