3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide

C13H8F4N2O — CID 62814302

IUPAC3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1F
InChIInChI=1S/C13H8F4N2O/c14-7-2-1-6(3-11(7)18)13(20)19-12-5-9(16)8(15)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeySACXOQPSIKOQEP-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.08
Rot. Bonds2

About 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide

3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 62814302) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID62814302
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1F
InChIInChI=1S/C13H8F4N2O/c14-7-2-1-6(3-11(7)18)13(20)19-12-5-9(16)8(15)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeySACXOQPSIKOQEP-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
CID 110488257
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(5-amino-2,4-difluorophenyl)-3-hydroxybenzamide
CID 43549881
4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 63212288
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide (CID 62814302) is 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide is Nc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is SACXOQPSIKOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c14-7-2-1-6(3-11(7)18)13(20)19-12-5-9(16)8(15)4-10(12)17/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 284.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62814302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).