3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide

C14H11F3N2O — CID 62809093

IUPAC3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1N
InChIInChI=1S/C14H11F3N2O/c1-7-2-3-8(4-12(7)18)14(20)19-9-5-10(15)13(17)11(16)6-9/h2-6H,18H2,1H3,(H,19,20)
InChIKeyXAFAOBNVNBWTCB-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.25
Rot. Bonds2

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

3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 62809093) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID62809093
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1N
InChIInChI=1S/C14H11F3N2O/c1-7-2-3-8(4-12(7)18)14(20)19-9-5-10(15)13(17)11(16)6-9/h2-6H,18H2,1H3,(H,19,20)
InChIKeyXAFAOBNVNBWTCB-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide (CID 62809093) is 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide is Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is XAFAOBNVNBWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-2-3-8(4-12(7)18)14(20)19-9-5-10(15)13(17)11(16)6-9/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62809093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).