N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide

C10H10F4N2O — CID 114032448

IUPACN-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1ccc(N)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H10F4N2O/c1-5-2-3-6(15)7(4-5)16-9(17)10(13,14)8(11)12/h2-4,8H,15H2,1H3,(H,16,17)
InChIKeyMSLLQPYJCMAGDC-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.42
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide

N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 114032448) has the molecular formula C10H10F4N2O and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID114032448
Molecular FormulaC10H10F4N2O
Molecular Weight250.20 g/mol
Exact Mass250.07
IUPAC NameN-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1ccc(N)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H10F4N2O/c1-5-2-3-6(15)7(4-5)16-9(17)10(13,14)8(11)12/h2-4,8H,15H2,1H3,(H,16,17)
InChIKeyMSLLQPYJCMAGDC-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.42
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-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 103733044
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032415
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114033268
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733456
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide (CID 114032448) is N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide is Cc1ccc(N)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is MSLLQPYJCMAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-5-2-3-6(15)7(4-5)16-9(17)10(13,14)8(11)12/h2-4,8H,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 250.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 114032448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).