3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide

C11H19ClN2O2 — CID 43146223

IUPAC3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
SMILESCN(C(=O)NC(=O)CCCl)C1CCCCC1
InChIInChI=1S/C11H19ClN2O2/c1-14(9-5-3-2-4-6-9)11(16)13-10(15)7-8-12/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyIVTRYLWABTXBKY-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.12
Rot. Bonds3

About 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide

3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide (PubChem CID 43146223) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
PubChem CID43146223
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
SMILESCN(C(=O)NC(=O)CCCl)C1CCCCC1
InChIInChI=1S/C11H19ClN2O2/c1-14(9-5-3-2-4-6-9)11(16)13-10(15)7-8-12/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyIVTRYLWABTXBKY-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
CID 43614380
N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide
CID 54987842
1-cyclobutyl-1,3-dimethylurea
CID 66861755
N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
CID 61444003
N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503671
4-[[cyclohexyl(methyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992058
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447313
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
3-chloro-N-cycloheptylpropanamide
CID 5152151
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide (CID 43146223) is 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide is CN(C(=O)NC(=O)CCCl)C1CCCCC1.
What is the InChIKey of 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide?
The InChIKey is IVTRYLWABTXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-14(9-5-3-2-4-6-9)11(16)13-10(15)7-8-12/h9H,2-8H2,1H3,(H,13,15,16).
What are the key properties of 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide?
3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide has a molecular weight of 246.74 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide is sourced from PubChem (CID 43146223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).