N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide

C15H19F3N2O — CID 86797686

IUPACN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
SMILESCC(C)N(CCNC(=O)c1c(F)ccc(F)c1F)C1CC1
InChIInChI=1S/C15H19F3N2O/c1-9(2)20(10-3-4-10)8-7-19-15(21)13-11(16)5-6-12(17)14(13)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyNRNRZNFNZISILZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide

N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide (PubChem CID 86797686) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
PubChem CID86797686
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
SMILESCC(C)N(CCNC(=O)c1c(F)ccc(F)c1F)C1CC1
InChIInChI=1S/C15H19F3N2O/c1-9(2)20(10-3-4-10)8-7-19-15(21)13-11(16)5-6-12(17)14(13)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyNRNRZNFNZISILZ-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450631
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362209
(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017596
(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017595
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
CID 111337403
1-[(4-chlorophenyl)methyl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111131612
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine
CID 111845839

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide?
The IUPAC name of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide (CID 86797686) is N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide?
The canonical SMILES for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide is CC(C)N(CCNC(=O)c1c(F)ccc(F)c1F)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide?
The InChIKey is NRNRZNFNZISILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9(2)20(10-3-4-10)8-7-19-15(21)13-11(16)5-6-12(17)14(13)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide?
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide has a molecular weight of 300.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide is sourced from PubChem (CID 86797686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).