N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide

C14H16F3NO2 — CID 63189178

IUPACN-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
SMILESO=C(NCCCOCC1CC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO2/c15-11-6-10(7-12(16)13(11)17)14(19)18-4-1-5-20-8-9-2-3-9/h6-7,9H,1-5,8H2,(H,18,19)
InChIKeyJJYZIDRKLXLNLK-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.65
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide

N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide (PubChem CID 63189178) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
PubChem CID63189178
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
SMILESO=C(NCCCOCC1CC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO2/c15-11-6-10(7-12(16)13(11)17)14(19)18-4-1-5-20-8-9-2-3-9/h6-7,9H,1-5,8H2,(H,18,19)
InChIKeyJJYZIDRKLXLNLK-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46493024

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide (CID 63189178) is N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide is O=C(NCCCOCC1CC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide?
The InChIKey is JJYZIDRKLXLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-11-6-10(7-12(16)13(11)17)14(19)18-4-1-5-20-8-9-2-3-9/h6-7,9H,1-5,8H2,(H,18,19).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide?
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide has a molecular weight of 287.28 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63189178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).