2-amino-4,5-bis(fluoromethyl)benzamide

C9H10F2N2O — CID 90872088

IUPAC2-amino-4,5-bis(fluoromethyl)benzamide
SMILESNC(=O)c1cc(CF)c(CF)cc1N
InChIInChI=1S/C9H10F2N2O/c10-3-5-1-7(9(13)14)8(12)2-6(5)4-11/h1-2H,3-4,12H2,(H2,13,14)
InChIKeyZCHRQHHCQNGSGY-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-4,5-bis(fluoromethyl)benzamide

2-amino-4,5-bis(fluoromethyl)benzamide (PubChem CID 90872088) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-amino-4,5-bis(fluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-bis(fluoromethyl)benzamide
PubChem CID90872088
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-amino-4,5-bis(fluoromethyl)benzamide
SMILESNC(=O)c1cc(CF)c(CF)cc1N
InChIInChI=1S/C9H10F2N2O/c10-3-5-1-7(9(13)14)8(12)2-6(5)4-11/h1-2H,3-4,12H2,(H2,13,14)
InChIKeyZCHRQHHCQNGSGY-UHFFFAOYSA-N
XLogP1.31
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.31
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-amino-4,5-difluorobenzamide
CID 16640510
4-bromo-2-(fluoromethyl)benzamide
CID 91008252
2,3,4-tris(fluoromethyl)benzamide
CID 91059826
3,4-bis(fluoromethyl)benzamide
CID 90892252
2-amino-5-(bromomethyl)benzamide
CID 67811564
2-amino-4-(fluoromethoxy)benzamide
CID 91219104
2-amino-4-(bromomethyl)benzamide
CID 91583804
2-chloro-4-(fluoromethyl)benzamide
CID 57254997
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
2-amino-4,5-dinitrobenzamide
CID 119012907
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
methyl 2-amino-4-(fluoromethyl)benzoate
CID 59164407

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-bis(fluoromethyl)benzamide?
The IUPAC name of 2-amino-4,5-bis(fluoromethyl)benzamide (CID 90872088) is 2-amino-4,5-bis(fluoromethyl)benzamide.
What is the SMILES notation for 2-amino-4,5-bis(fluoromethyl)benzamide?
The canonical SMILES for 2-amino-4,5-bis(fluoromethyl)benzamide is NC(=O)c1cc(CF)c(CF)cc1N.
What is the InChIKey of 2-amino-4,5-bis(fluoromethyl)benzamide?
The InChIKey is ZCHRQHHCQNGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-3-5-1-7(9(13)14)8(12)2-6(5)4-11/h1-2H,3-4,12H2,(H2,13,14).
What are the key properties of 2-amino-4,5-bis(fluoromethyl)benzamide?
2-amino-4,5-bis(fluoromethyl)benzamide has a molecular weight of 200.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-bis(fluoromethyl)benzamide is sourced from PubChem (CID 90872088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).