N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C8H13ClFNO — CID 130987604

IUPACN-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(CCl)NC(=O)C1(C)CC1F
InChIInChI=1S/C8H13ClFNO/c1-5(4-9)11-7(12)8(2)3-6(8)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyUQDKNMRFBHIKNK-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.48
Rot. Bonds3

About N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 130987604) has the molecular formula C8H13ClFNO and a molecular weight of 193.65 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID130987604
Molecular FormulaC8H13ClFNO
Molecular Weight193.65 g/mol
Exact Mass193.07
IUPAC NameN-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(CCl)NC(=O)C1(C)CC1F
InChIInChI=1S/C8H13ClFNO/c1-5(4-9)11-7(12)8(2)3-6(8)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyUQDKNMRFBHIKNK-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(fluoromethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 164554180
2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
CID 176757515
3-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105933022
N-(1-chlorobutan-2-yl)-4,4,4-trifluorobutanamide
CID 114294556
N-(1-chloropropan-2-yl)-4,4,4-trifluorobutanamide
CID 114299586
N-(1-chloro-3-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 114305517
N-(3-chloro-2,2-dimethylpropyl)-4,4,4-trifluorobutanamide
CID 115364533
N-[[1-(chloromethyl)cyclopropyl]methyl]-4,4,4-trifluorobutanamide
CID 115455956
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide
CID 115456031
N-(4-chloro-3-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 116186706
N-(2-chloro-3-methylbutyl)-4,4,4-trifluorobutanamide
CID 116245281
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 130941395

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 130987604) is N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC(CCl)NC(=O)C1(C)CC1F.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is UQDKNMRFBHIKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClFNO/c1-5(4-9)11-7(12)8(2)3-6(8)10/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 193.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130987604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).