N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 43596552

IUPACN-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCNC1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-4-1-3-10(9-11)13(20)19-8-2-7-18-12-5-6-12/h1,3-4,9,12,18H,2,5-8H2,(H,19,20)
InChIKeyJTQRGUSAWJWVCW-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.58
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide

N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide (PubChem CID 43596552) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
PubChem CID43596552
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCNC1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-4-1-3-10(9-11)13(20)19-8-2-7-18-12-5-6-12/h1,3-4,9,12,18H,2,5-8H2,(H,19,20)
InChIKeyJTQRGUSAWJWVCW-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.58
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-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide (CID 43596552) is N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide is O=C(NCCCNC1CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JTQRGUSAWJWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-4-1-3-10(9-11)13(20)19-8-2-7-18-12-5-6-12/h1,3-4,9,12,18H,2,5-8H2,(H,19,20).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide?
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 43596552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).