N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide

C19H20F3N3O2 — CID 119775990

IUPACN-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCNCC(C)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-12(11-23-2)17(26)24-15-7-4-8-16(10-15)25-18(27)13-5-3-6-14(9-13)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIAYAITYVHMWKGG-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.75
Rot. Bonds6

About N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 119775990) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID119775990
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCNCC(C)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-12(11-23-2)17(26)24-15-7-4-8-16(10-15)25-18(27)13-5-3-6-14(9-13)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIAYAITYVHMWKGG-UHFFFAOYSA-N
XLogP3.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775992
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775980
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
3-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54833107
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide (CID 119775990) is N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide is CNCC(C)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IAYAITYVHMWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(11-23-2)17(26)24-15-7-4-8-16(10-15)25-18(27)13-5-3-6-14(9-13)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119775990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).