2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide

C7H11ClFNO — CID 123856888

IUPAC2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1CC1(F)Cl
InChIInChI=1S/C7H11ClFNO/c1-2-3-10-6(11)5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyQPIWXBYZENXQSD-UHFFFAOYSA-N
MW179.62 g/mol
LogP1.44
Rot. Bonds3

About 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide

2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide (PubChem CID 123856888) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide
PubChem CID123856888
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1CC1(F)Cl
InChIInChI=1S/C7H11ClFNO/c1-2-3-10-6(11)5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyQPIWXBYZENXQSD-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 51.44
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-butyl-4-chloro-4,4-difluorobutanamide
CID 54146455
4-chloro-N-ethyl-4,4-difluorobutanamide
CID 54472121
N-(2-fluoroethyl)cyclopropanecarboxamide
CID 55299462
2,2-difluoro-N-propylcyclopropane-1-carboxamide
CID 68260837
(2S)-2-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 68267315
(2S)-N-ethyl-2-fluorocyclopropane-1-carboxamide
CID 68378474
N-(2,2-difluoropropyl)cyclopropanecarboxamide
CID 68641139
2-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 77445855
N-ethyl-2-fluorocyclopropane-1-carboxamide
CID 77492409
2-chloro-N-ethyl-2-fluorobutanamide
CID 87187167
N-ethyl-2,2-difluorocyclopropane-1-carboxamide
CID 89760631
1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
CID 90224660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide (CID 123856888) is 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1CC1(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide?
The InChIKey is QPIWXBYZENXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c1-2-3-10-6(11)5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide?
2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide has a molecular weight of 179.62 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 123856888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).