3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide

C10H17ClN2O2 — CID 63279383

IUPAC3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
SMILESCC1CCCC1NC(=O)NC(=O)CCCl
InChIInChI=1S/C10H17ClN2O2/c1-7-3-2-4-8(7)12-10(15)13-9(14)5-6-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyYVAFXDLLZFJENQ-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.63
Rot. Bonds3

About 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide

3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide (PubChem CID 63279383) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
PubChem CID63279383
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
SMILESCC1CCCC1NC(=O)NC(=O)CCCl
InChIInChI=1S/C10H17ClN2O2/c1-7-3-2-4-8(7)12-10(15)13-9(14)5-6-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyYVAFXDLLZFJENQ-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
CID 54955402
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide
CID 80719423
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
2,3-dimethyl-4-[(2-methylcyclopentyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 76993602
3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
CID 43373716
2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
CID 143560606
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60616778

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide (CID 63279383) is 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide is CC1CCCC1NC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide?
The InChIKey is YVAFXDLLZFJENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-7-3-2-4-8(7)12-10(15)13-9(14)5-6-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide?
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide has a molecular weight of 232.71 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide is sourced from PubChem (CID 63279383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).