N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide

C10H18ClNO2 — CID 106182857

IUPACN-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
SMILESCOCC(CCl)NC(=O)C1CCCC1
InChIInChI=1S/C10H18ClNO2/c1-14-7-9(6-11)12-10(13)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyVVQHCLUEVIGLRJ-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.55
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide

N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide (PubChem CID 106182857) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
PubChem CID106182857
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
SMILESCOCC(CCl)NC(=O)C1CCCC1
InChIInChI=1S/C10H18ClNO2/c1-14-7-9(6-11)12-10(13)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyVVQHCLUEVIGLRJ-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.55
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

N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
N-(1-bromo-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 106183718
N-(4-chloro-1-methoxybutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106155078
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
CID 113272332
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 4191585
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
N-(1-bromo-3-methoxypropan-2-yl)thiane-2-carboxamide
CID 106184222

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide (CID 106182857) is N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide is COCC(CCl)NC(=O)C1CCCC1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide?
The InChIKey is VVQHCLUEVIGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-14-7-9(6-11)12-10(13)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide?
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide has a molecular weight of 219.71 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 106182857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).