N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C15H22ClN3O2 — CID 113059769

IUPACN-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1cccc(Cl)c1C
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-15(21)17-8-9-19(12(4)20)14-7-5-6-13(16)11(14)3/h5-7,10H,8-9H2,1-4H3,(H2,17,18,21)
InChIKeyXASMGCLRFKXDFR-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.71
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113059769) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113059769
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1cccc(Cl)c1C
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-15(21)17-8-9-19(12(4)20)14-7-5-6-13(16)11(14)3/h5-7,10H,8-9H2,1-4H3,(H2,17,18,21)
InChIKeyXASMGCLRFKXDFR-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113064473
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113059769) is N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC(C)C)c1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is XASMGCLRFKXDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)18-15(21)17-8-9-19(12(4)20)14-7-5-6-13(16)11(14)3/h5-7,10H,8-9H2,1-4H3,(H2,17,18,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 311.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113059769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).