3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide

C12H22ClNO — CID 107417691

IUPAC3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
SMILESCC1CCCC1CNC(=O)C(C)(C)CCl
InChIInChI=1S/C12H22ClNO/c1-9-5-4-6-10(9)7-14-11(15)12(2,3)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyAYCIHSLDXNLFCE-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide

3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide (PubChem CID 107417691) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
PubChem CID107417691
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
SMILESCC1CCCC1CNC(=O)C(C)(C)CCl
InChIInChI=1S/C12H22ClNO/c1-9-5-4-6-10(9)7-14-11(15)12(2,3)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyAYCIHSLDXNLFCE-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420162
(2-methylcyclopentyl)methylurea
CID 107417745
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide (CID 107417691) is 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide is CC1CCCC1CNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide?
The InChIKey is AYCIHSLDXNLFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-9-5-4-6-10(9)7-14-11(15)12(2,3)8-13/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide?
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide has a molecular weight of 231.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 107417691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).