N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide

C13H22ClNO — CID 63394667

IUPACN-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
SMILESO=C(CCC1CCCC1)N(CCCl)C1CC1
InChIInChI=1S/C13H22ClNO/c14-9-10-15(12-6-7-12)13(16)8-5-11-3-1-2-4-11/h11-12H,1-10H2
InChIKeyOLKHBENQMSYWLO-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.19
Rot. Bonds6

About N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide

N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide (PubChem CID 63394667) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
PubChem CID63394667
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
SMILESO=C(CCC1CCCC1)N(CCCl)C1CC1
InChIInChI=1S/C13H22ClNO/c14-9-10-15(12-6-7-12)13(16)8-5-11-3-1-2-4-11/h11-12H,1-10H2
InChIKeyOLKHBENQMSYWLO-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide?
The IUPAC name of N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide (CID 63394667) is N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide is O=C(CCC1CCCC1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide?
The InChIKey is OLKHBENQMSYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-9-10-15(12-6-7-12)13(16)8-5-11-3-1-2-4-11/h11-12H,1-10H2.
What are the key properties of N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide?
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide has a molecular weight of 243.78 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide is sourced from PubChem (CID 63394667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).