N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide

C17H19ClN2O — CID 108998040

IUPACN-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
SMILESCCc1ccc(NCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-13-7-9-15(10-8-13)19-12-17(21)20-11-14-5-3-4-6-16(14)18/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyKXUFEDZGPHDCIW-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.63
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide (PubChem CID 108998040) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
PubChem CID108998040
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
SMILESCCc1ccc(NCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-13-7-9-15(10-8-13)19-12-17(21)20-11-14-5-3-4-6-16(14)18/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyKXUFEDZGPHDCIW-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821696
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
N-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835394
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838983
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 112992648

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide (CID 108998040) is N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide is CCc1ccc(NCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide?
The InChIKey is KXUFEDZGPHDCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-13-7-9-15(10-8-13)19-12-17(21)20-11-14-5-3-4-6-16(14)18/h3-10,19H,2,11-12H2,1H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide is sourced from PubChem (CID 108998040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).