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

C9H9ClF2N2O — CID 11564909

IUPACN-(2-amino-4,5-difluorophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1cc(F)c(F)cc1N
InChIInChI=1S/C9H9ClF2N2O/c1-4(10)9(15)14-8-3-6(12)5(11)2-7(8)13/h2-4H,13H2,1H3,(H,14,15)
InChIKeyNDPHJXKSAHCMMS-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.11
Rot. Bonds2

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

N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide (PubChem CID 11564909) has the molecular formula C9H9ClF2N2O and a molecular weight of 234.63 g/mol. Its IUPAC name is N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-amino-4,5-difluorophenyl)-2-chloropropanamide
PubChem CID11564909
Molecular FormulaC9H9ClF2N2O
Molecular Weight234.63 g/mol
Exact Mass234.04
IUPAC NameN-(2-amino-4,5-difluorophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1cc(F)c(F)cc1N
InChIInChI=1S/C9H9ClF2N2O/c1-4(10)9(15)14-8-3-6(12)5(11)2-7(8)13/h2-4H,13H2,1H3,(H,14,15)
InChIKeyNDPHJXKSAHCMMS-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
CID 11630154
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
methyl 5-(2-chloropropanoylamino)-2,4-difluorobenzoate
CID 43347118
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide?
The IUPAC name of N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide (CID 11564909) is N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide?
The canonical SMILES for N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide is CC(Cl)C(=O)Nc1cc(F)c(F)cc1N.
What is the InChIKey of N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide?
The InChIKey is NDPHJXKSAHCMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O/c1-4(10)9(15)14-8-3-6(12)5(11)2-7(8)13/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide?
N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide has a molecular weight of 234.63 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide is sourced from PubChem (CID 11564909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).