N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

C14H16F3NO — CID 110486488

IUPACN-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H16F3NO/c1-2-3-8-18-13(19)14(6-7-14)9-4-5-10(15)12(17)11(9)16/h4-5H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyNWVGDEVQVDHJFR-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.05
Rot. Bonds5

About N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110486488) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID110486488
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H16F3NO/c1-2-3-8-18-13(19)14(6-7-14)9-4-5-10(15)12(17)11(9)16/h4-5H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyNWVGDEVQVDHJFR-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486480
N-(2-aminoethyl)-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486476
2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110486472
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
N-butyl-1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822427
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (CID 110486488) is N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is CCCCNC(=O)C1(c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is NWVGDEVQVDHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-3-8-18-13(19)14(6-7-14)9-4-5-10(15)12(17)11(9)16/h4-5H,2-3,6-8H2,1H3,(H,18,19).
What are the key properties of N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110486488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).