N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide

C19H20F2N2O — CID 134441971

IUPACN-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2(C)C)cc1-c1ccc(F)c(N)c1F
InChIInChI=1S/C19H20F2N2O/c1-10-4-5-11(23-18(24)14-9-19(14,2)3)8-13(10)12-6-7-15(20)17(22)16(12)21/h4-8,14H,9,22H2,1-3H3,(H,23,24)
InChIKeyQPUFGTFXUGDYJV-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.51
Rot. Bonds3

About N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 134441971) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID134441971
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC NameN-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2(C)C)cc1-c1ccc(F)c(N)c1F
InChIInChI=1S/C19H20F2N2O/c1-10-4-5-11(23-18(24)14-9-19(14,2)3)8-13(10)12-6-7-15(20)17(22)16(12)21/h4-8,14H,9,22H2,1-3H3,(H,23,24)
InChIKeyQPUFGTFXUGDYJV-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001572
(E)-3-[5-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-fluorophenyl]prop-2-enoic acid
CID 107003025
(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 144562744
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000287
5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide
CID 138055679
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000303
N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107002039

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 134441971) is N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2(C)C)cc1-c1ccc(F)c(N)c1F.
What is the InChIKey of N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QPUFGTFXUGDYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-10-4-5-11(23-18(24)14-9-19(14,2)3)8-13(10)12-6-7-15(20)17(22)16(12)21/h4-8,14H,9,22H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 134441971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).