N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide

C17H17ClN2O2 — CID 46651307

IUPACN-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-7-14(8-6-12)17(22)20-11-16(21)19-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyTXVILDSLHSIOTK-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 46651307) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID46651307
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-7-14(8-6-12)17(22)20-11-16(21)19-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyTXVILDSLHSIOTK-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

3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7478451
N-[(3-chlorophenyl)methyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9209869
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
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide (CID 46651307) is N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is TXVILDSLHSIOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-5-7-14(8-6-12)17(22)20-11-16(21)19-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide 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 N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46651307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).