N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide

C15H13F3N2O — CID 63183664

IUPACN-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H13F3N2O/c1-20(8-9-2-4-11(19)5-3-9)15(21)10-6-12(16)14(18)13(17)7-10/h2-7H,8,19H2,1H3
InChIKeyPWALWTZUUXUNMN-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.96
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide

N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide (PubChem CID 63183664) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
PubChem CID63183664
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H13F3N2O/c1-20(8-9-2-4-11(19)5-3-9)15(21)10-6-12(16)14(18)13(17)7-10/h2-7H,8,19H2,1H3
InChIKeyPWALWTZUUXUNMN-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide
CID 43458127
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide (CID 63183664) is N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide is CN(Cc1ccc(N)cc1)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide?
The InChIKey is PWALWTZUUXUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-20(8-9-2-4-11(19)5-3-9)15(21)10-6-12(16)14(18)13(17)7-10/h2-7H,8,19H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide?
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide has a molecular weight of 294.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 63183664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).