N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride

C16H23ClF3N3O2 — CID 119586725

IUPACN-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CNC(=O)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-10(2)7-11(8-20)22-14(23)9-21-15(24)12-5-3-4-6-13(12)16(17,18)19;/h3-6,10-11H,7-9,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyVIWRWJBYQGMPTR-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride

N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119586725) has the molecular formula C16H23ClF3N3O2 and a molecular weight of 381.83 g/mol. Its IUPAC name is N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119586725
Molecular FormulaC16H23ClF3N3O2
Molecular Weight381.83 g/mol
Exact Mass381.14
IUPAC NameN-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CNC(=O)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-10(2)7-11(8-20)22-14(23)9-21-15(24)12-5-3-4-6-13(12)16(17,18)19;/h3-6,10-11H,7-9,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyVIWRWJBYQGMPTR-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 39951306
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride (CID 119586725) is N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride is CC(C)CC(CN)NC(=O)CNC(=O)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is VIWRWJBYQGMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2.ClH/c1-10(2)7-11(8-20)22-14(23)9-21-15(24)12-5-3-4-6-13(12)16(17,18)19;/h3-6,10-11H,7-9,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride?
N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 381.83 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119586725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).