N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide

C14H19F3N2O — CID 106152852

IUPACN-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
SMILESCC(CN)CCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(9-18)5-4-8-19-13(20)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10H,4-5,8-9,18H2,1H3,(H,19,20)
InChIKeyNOPPVOPCAGULHP-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.81
Rot. Bonds6

About N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide

N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide (PubChem CID 106152852) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
PubChem CID106152852
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
SMILESCC(CN)CCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(9-18)5-4-8-19-13(20)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10H,4-5,8-9,18H2,1H3,(H,19,20)
InChIKeyNOPPVOPCAGULHP-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 119586725
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide (CID 106152852) is N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide is CC(CN)CCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide?
The InChIKey is NOPPVOPCAGULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(9-18)5-4-8-19-13(20)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10H,4-5,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide?
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 106152852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).