N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide

C18H19F3N2O — CID 110641710

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide
SMILESCc1cc(CCNC(=O)c2ccc(F)c(F)c2F)c(C)n1C1CC1
InChIInChI=1S/C18H19F3N2O/c1-10-9-12(11(2)23(10)13-3-4-13)7-8-22-18(24)14-5-6-15(19)17(21)16(14)20/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyCKOJWIKZSYGQRT-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide (PubChem CID 110641710) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide
PubChem CID110641710
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide
SMILESCc1cc(CCNC(=O)c2ccc(F)c(F)c2F)c(C)n1C1CC1
InChIInChI=1S/C18H19F3N2O/c1-10-9-12(11(2)23(10)13-3-4-13)7-8-22-18(24)14-5-6-15(19)17(21)16(14)20/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyCKOJWIKZSYGQRT-UHFFFAOYSA-N
XLogP3.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34729662
4-bromo-N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]benzamide
CID 110641692
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide
CID 110641681
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9402857
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]pentanamide
CID 110641676
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110641718
1-cyclopropyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9456045
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid
CID 82494297
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666512
1-(4-chlorophenyl)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110416084

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide (CID 110641710) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide is Cc1cc(CCNC(=O)c2ccc(F)c(F)c2F)c(C)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is CKOJWIKZSYGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-10-9-12(11(2)23(10)13-3-4-13)7-8-22-18(24)14-5-6-15(19)17(21)16(14)20/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 336.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110641710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).