N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide

C9H16ClNO — CID 114303630

IUPACN-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
SMILESCCC(C)(CCl)NC(=O)C1CC1
InChIInChI=1S/C9H16ClNO/c1-3-9(2,6-10)11-8(12)7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyLVLDUPNRZVOPAD-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide

N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide (PubChem CID 114303630) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
PubChem CID114303630
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
SMILESCCC(C)(CCl)NC(=O)C1CC1
InChIInChI=1S/C9H16ClNO/c1-3-9(2,6-10)11-8(12)7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyLVLDUPNRZVOPAD-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
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

N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-chloro-2-methylbutan-2-yl)propanamide
CID 114303581
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 106169068
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894284
N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide
CID 106168106
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829007

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide (CID 114303630) is N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide is CCC(C)(CCl)NC(=O)C1CC1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide?
The InChIKey is LVLDUPNRZVOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-3-9(2,6-10)11-8(12)7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide?
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 114303630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).