N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide

C20H22F3N3O2 — CID 119776002

IUPACN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H22F3N3O2/c1-3-10-19(2,24)18(28)26-16-9-5-8-15(12-16)25-17(27)13-6-4-7-14(11-13)20(21,22)23/h4-9,11-12H,3,10,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHTJDBMUWZXTDHP-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.41
Rot. Bonds6

About N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 119776002) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID119776002
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H22F3N3O2/c1-3-10-19(2,24)18(28)26-16-9-5-8-15(12-16)25-17(27)13-6-4-7-14(11-13)20(21,22)23/h4-9,11-12H,3,10,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHTJDBMUWZXTDHP-UHFFFAOYSA-N
XLogP4.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775992
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775990
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775980

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 119776002) is N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide is CCCC(C)(N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HTJDBMUWZXTDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-10-19(2,24)18(28)26-16-9-5-8-15(12-16)25-17(27)13-6-4-7-14(11-13)20(21,22)23/h4-9,11-12H,3,10,24H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119776002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).