N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C23H23ClN2O2 — CID 46580634

IUPACN-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H23ClN2O2/c1-16(17-10-12-20(24)13-11-17)26(2)23(28)15-25-22(27)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,16H,14-15H2,1-2H3,(H,25,27)
InChIKeyZKEGZNGORMFZGF-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.37
Rot. Bonds6

About N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 46580634) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID46580634
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H23ClN2O2/c1-16(17-10-12-20(24)13-11-17)26(2)23(28)15-25-22(27)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,16H,14-15H2,1-2H3,(H,25,27)
InChIKeyZKEGZNGORMFZGF-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 71909366
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9164665
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196
(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 1266491
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 46580634) is N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ZKEGZNGORMFZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-16(17-10-12-20(24)13-11-17)26(2)23(28)15-25-22(27)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,16H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 394.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 46580634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).