N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide

C12H14F2N2O — CID 83147686

IUPACN-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cc(N)c(F)cc1F)C1CC1
InChIInChI=1S/C12H14F2N2O/c1-6(7-2-3-7)12(17)16-11-5-10(15)8(13)4-9(11)14/h4-7H,2-3,15H2,1H3,(H,16,17)
InChIKeyWVZJEUQMMSNWCU-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.53
Rot. Bonds3

About N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide

N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide (PubChem CID 83147686) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide
PubChem CID83147686
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cc(N)c(F)cc1F)C1CC1
InChIInChI=1S/C12H14F2N2O/c1-6(7-2-3-7)12(17)16-11-5-10(15)8(13)4-9(11)14/h4-7H,2-3,15H2,1H3,(H,16,17)
InChIKeyWVZJEUQMMSNWCU-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.53
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

2-cyclopropyl-N-(2-fluoro-4-hydroxyphenyl)propanamide
CID 83154239
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide
CID 83146901
2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 83149306
N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
CID 83147329
N-(2-carbamothioyl-3-fluorophenyl)-2-cyclopropylpropanamide
CID 83154703
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 83148694
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828
4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
CID 83154456

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide (CID 83147686) is N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide is CC(C(=O)Nc1cc(N)c(F)cc1F)C1CC1.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide?
The InChIKey is WVZJEUQMMSNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-6(7-2-3-7)12(17)16-11-5-10(15)8(13)4-9(11)14/h4-7H,2-3,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide?
N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide has a molecular weight of 240.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83147686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).