N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide

C17H19ClN2O — CID 109008467

IUPACN-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H19ClN2O/c1-3-20(16-9-4-6-13(2)10-16)12-17(21)19-15-8-5-7-14(18)11-15/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyXPULVXVPJRBURL-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.11
Rot. Bonds5

About N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide

N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide (PubChem CID 109008467) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
PubChem CID109008467
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H19ClN2O/c1-3-20(16-9-4-6-13(2)10-16)12-17(21)19-15-8-5-7-14(18)11-15/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyXPULVXVPJRBURL-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-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438
2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
CID 47078032
2-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010683
2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide (CID 109008467) is N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide is CCN(CC(=O)Nc1cccc(Cl)c1)c1cccc(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide?
The InChIKey is XPULVXVPJRBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-20(16-9-4-6-13(2)10-16)12-17(21)19-15-8-5-7-14(18)11-15/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide?
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)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-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide is sourced from PubChem (CID 109008467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).