N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide

C13H24ClNO — CID 63393802

IUPACN-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCl)C(=O)CCC1CCCC1
InChIInChI=1S/C13H24ClNO/c1-11(2)15(10-9-14)13(16)8-7-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyYXBWAJKHGGNKSU-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.43
Rot. Bonds6

About N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide

N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide (PubChem CID 63393802) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
PubChem CID63393802
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCl)C(=O)CCC1CCCC1
InChIInChI=1S/C13H24ClNO/c1-11(2)15(10-9-14)13(16)8-7-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyYXBWAJKHGGNKSU-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.43
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

4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
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N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide
CID 104556269
3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
CID 55117201
3-chloro-N-propan-2-yl-N-propylpropanamide
CID 43269467
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 55133656
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide (CID 63393802) is N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide is CC(C)N(CCCl)C(=O)CCC1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
The InChIKey is YXBWAJKHGGNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-11(2)15(10-9-14)13(16)8-7-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide has a molecular weight of 245.79 g/mol, XLogP of 3.43, 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-propan-2-ylpropanamide is sourced from PubChem (CID 63393802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).