N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide

C17H19ClN2O — CID 54808857

IUPACN-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-3-20(14-8-5-4-6-9-14)12-17(21)19-16-11-7-10-15(18)13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyOUJWSNFZOJPIMK-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.11
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide

N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide (PubChem CID 54808857) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
PubChem CID54808857
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-3-20(14-8-5-4-6-9-14)12-17(21)19-16-11-7-10-15(18)13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyOUJWSNFZOJPIMK-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
methyl 2-[benzyl-[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetate
CID 47050174
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide (CID 54808857) is N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide is CCN(CC(=O)Nc1cccc(Cl)c1C)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide?
The InChIKey is OUJWSNFZOJPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-20(14-8-5-4-6-9-14)12-17(21)19-16-11-7-10-15(18)13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide has a molecular weight of 302.81 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide is sourced from PubChem (CID 54808857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).