3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide

C10H18ClNO — CID 63631256

IUPAC3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
SMILESCN(CC1CCCC1)C(=O)CCCl
InChIInChI=1S/C10H18ClNO/c1-12(10(13)6-7-11)8-9-4-2-3-5-9/h9H,2-8H2,1H3
InChIKeyDXCLDNIJXQZITA-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide

3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide (PubChem CID 63631256) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
PubChem CID63631256
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
SMILESCN(CC1CCCC1)C(=O)CCCl
InChIInChI=1S/C10H18ClNO/c1-12(10(13)6-7-11)8-9-4-2-3-5-9/h9H,2-8H2,1H3
InChIKeyDXCLDNIJXQZITA-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.26
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-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
CID 60946266
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide?
The IUPAC name of 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide (CID 63631256) is 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide is CN(CC1CCCC1)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide?
The InChIKey is DXCLDNIJXQZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-12(10(13)6-7-11)8-9-4-2-3-5-9/h9H,2-8H2,1H3.
What are the key properties of 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide?
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide has a molecular weight of 203.71 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide is sourced from PubChem (CID 63631256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).