(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C13H15F2NO — CID 144562744

IUPAC(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1cc(F)c(F)cc1NC(=O)[C@H]1CC1(C)C
InChIInChI=1S/C13H15F2NO/c1-7-4-9(14)10(15)5-11(7)16-12(17)8-6-13(8,2)3/h4-5,8H,6H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKeyCDHLTKFSHDZQFA-MRVPVSSYSA-N
MW239.26 g/mol
LogP3.26
Rot. Bonds2

About (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 144562744) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID144562744
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1cc(F)c(F)cc1NC(=O)[C@H]1CC1(C)C
InChIInChI=1S/C13H15F2NO/c1-7-4-9(14)10(15)5-11(7)16-12(17)8-6-13(8,2)3/h4-5,8H,6H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKeyCDHLTKFSHDZQFA-MRVPVSSYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000303
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-4-methylbenzoic acid
CID 106703341
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000287
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160761
N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000194
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002397
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002393
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 134441971

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 144562744) is (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is Cc1cc(F)c(F)cc1NC(=O)[C@H]1CC1(C)C.
What is the InChIKey of (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is CDHLTKFSHDZQFA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-7-4-9(14)10(15)5-11(7)16-12(17)8-6-13(8,2)3/h4-5,8H,6H2,1-3H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 144562744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).