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

C17H17ClN2O2 — CID 38294554

IUPAC3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-4-2-5-13(8-12)10-19-16(21)11-20-17(22)14-6-3-7-15(18)9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyZDNTUHWFAKEGTI-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.69
Rot. Bonds5

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

3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 38294554) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID38294554
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-4-2-5-13(8-12)10-19-16(21)11-20-17(22)14-6-3-7-15(18)9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyZDNTUHWFAKEGTI-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363665
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 38294554) is 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1cccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is ZDNTUHWFAKEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-4-2-5-13(8-12)10-19-16(21)11-20-17(22)14-6-3-7-15(18)9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38294554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).