N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide

C9H7ClF4N2O — CID 114032415

IUPACN-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESNc1ccc(NC(=O)C(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C9H7ClF4N2O/c10-5-3-4(15)1-2-6(5)16-8(17)9(13,14)7(11)12/h1-3,7H,15H2,(H,16,17)
InChIKeyKUNDUTVJIISWQL-UHFFFAOYSA-N
MW270.61 g/mol
LogP2.76
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide

N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 114032415) has the molecular formula C9H7ClF4N2O and a molecular weight of 270.61 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID114032415
Molecular FormulaC9H7ClF4N2O
Molecular Weight270.61 g/mol
Exact Mass270.02
IUPAC NameN-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESNc1ccc(NC(=O)C(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C9H7ClF4N2O/c10-5-3-4(15)1-2-6(5)16-8(17)9(13,14)7(11)12/h1-3,7H,15H2,(H,16,17)
InChIKeyKUNDUTVJIISWQL-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 29004297
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103733189
1-(4-amino-2-chlorophenyl)-3-tert-butylurea
CID 28785677
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 127573768
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide (CID 114032415) is N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide is Nc1ccc(NC(=O)C(F)(F)C(F)F)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is KUNDUTVJIISWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4N2O/c10-5-3-4(15)1-2-6(5)16-8(17)9(13,14)7(11)12/h1-3,7H,15H2,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide?
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 270.61 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 114032415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).