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

C17H17ClN2O3 — CID 27231758

IUPAC3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-7-2-4-12(8-15)10-19-16(21)11-20-17(22)13-5-3-6-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGROILPZUYHUNDO-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.39
Rot. Bonds6

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

3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 27231758) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID27231758
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-7-2-4-12(8-15)10-19-16(21)11-20-17(22)13-5-3-6-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGROILPZUYHUNDO-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7478451
3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide (CID 27231758) is 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide is COc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is GROILPZUYHUNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-15-7-2-4-12(8-15)10-19-16(21)11-20-17(22)13-5-3-6-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 27231758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).