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

C20H22F3N3O2 — CID 119775992

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

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

N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 119775992) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID119775992
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H22F3N3O2/c1-3-12(2)17(24)19(28)26-16-9-5-8-15(11-16)25-18(27)13-6-4-7-14(10-13)20(21,22)23/h4-12,17H,3,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySYSMXVINESVKRV-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775990
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119776002
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 119775992) is N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide is CCC(C)C(N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SYSMXVINESVKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-12(2)17(24)19(28)26-16-9-5-8-15(11-16)25-18(27)13-6-4-7-14(10-13)20(21,22)23/h4-12,17H,3,24H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.27, 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-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119775992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).