N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide

C13H14F3NO — CID 63954344

IUPACN-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3NO/c1-2-17(7-8-3-4-8)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,2-4,7H2,1H3
InChIKeyUTVNOXOSQJKHQE-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.98
Rot. Bonds4

About N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide

N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide (PubChem CID 63954344) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
PubChem CID63954344
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3NO/c1-2-17(7-8-3-4-8)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,2-4,7H2,1H3
InChIKeyUTVNOXOSQJKHQE-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65388304
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 104917550
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65395912
N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648900
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide (CID 63954344) is N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide is CCN(CC1CC1)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide?
The InChIKey is UTVNOXOSQJKHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-17(7-8-3-4-8)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide?
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide has a molecular weight of 257.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63954344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).