N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide

C13H17ClN2O2 — CID 2290457

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9(2)16-13(18)12(17)15-8-7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDOCPFYZRWRPAFV-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide

N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide (PubChem CID 2290457) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide
PubChem CID2290457
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9(2)16-13(18)12(17)15-8-7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDOCPFYZRWRPAFV-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Dipeptidyl nitrile inhibitor, 6
CID 44224116
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 56663268
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide
CID 2084155
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 2117006
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 2122018
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide (CID 2290457) is N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide?
The InChIKey is DOCPFYZRWRPAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(2)16-13(18)12(17)15-8-7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide has a molecular weight of 268.74 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 2290457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).