3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide

C19H19F3N2O2 — CID 108933890

IUPAC3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2O2/c1-13-3-2-4-14(11-13)7-10-17(25)23-12-15-5-8-16(9-6-15)24-18(26)19(20,21)22/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeySKSVGXLZLYLRSU-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.74
Rot. Bonds6

About 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide

3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide (PubChem CID 108933890) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
PubChem CID108933890
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2O2/c1-13-3-2-4-14(11-13)7-10-17(25)23-12-15-5-8-16(9-6-15)24-18(26)19(20,21)22/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeySKSVGXLZLYLRSU-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917788
N-[4-[[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111900851
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide (CID 108933890) is 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide is Cc1cccc(CCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
The InChIKey is SKSVGXLZLYLRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-3-2-4-14(11-13)7-10-17(25)23-12-15-5-8-16(9-6-15)24-18(26)19(20,21)22/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide has a molecular weight of 364.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide is sourced from PubChem (CID 108933890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).