2-amino-4-chloro-5-(trifluoromethoxy)benzamide

C8H6ClF3N2O2 — CID 119015619

IUPAC2-amino-4-chloro-5-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(OC(F)(F)F)c(Cl)cc1N
InChIInChI=1S/C8H6ClF3N2O2/c9-4-2-5(13)3(7(14)15)1-6(4)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyNAXVJYIJMPGNEE-UHFFFAOYSA-N
MW254.59 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-4-chloro-5-(trifluoromethoxy)benzamide

2-amino-4-chloro-5-(trifluoromethoxy)benzamide (PubChem CID 119015619) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-amino-4-chloro-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-5-(trifluoromethoxy)benzamide
PubChem CID119015619
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-amino-4-chloro-5-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(OC(F)(F)F)c(Cl)cc1N
InChIInChI=1S/C8H6ClF3N2O2/c9-4-2-5(13)3(7(14)15)1-6(4)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyNAXVJYIJMPGNEE-UHFFFAOYSA-N
XLogP1.92
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(diaminomethylidene)-2-methyl-5-(trifluoromethoxy)benzamide
CID 18925745
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171032832
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
2-amino-5-(trifluoromethoxy)pyridine-4-carboxamide
CID 119006501
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
4-sulfanyl-2-(trifluoromethoxy)benzamide
CID 170999331
ethyl 4-chloro-2-cyano-5-(trifluoromethoxy)benzoate
CID 134651088
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-5-(trifluoromethoxy)benzamide?
The IUPAC name of 2-amino-4-chloro-5-(trifluoromethoxy)benzamide (CID 119015619) is 2-amino-4-chloro-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-amino-4-chloro-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-amino-4-chloro-5-(trifluoromethoxy)benzamide is NC(=O)c1cc(OC(F)(F)F)c(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-5-(trifluoromethoxy)benzamide?
The InChIKey is NAXVJYIJMPGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-4-2-5(13)3(7(14)15)1-6(4)16-8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 2-amino-4-chloro-5-(trifluoromethoxy)benzamide?
2-amino-4-chloro-5-(trifluoromethoxy)benzamide has a molecular weight of 254.59 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 119015619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).