2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide

Name: 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₆F₂N₂O — CID 119503198

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide

SMILESCNCCNC(=O)C1CC1c1ccc(F)c(F)c1

InChIInChI=1S/C13H16F2N2O/c1-16-4-5-17-13(18)10-7-9(10)8-2-3-11(14)12(15)6-8/h2-3,6,9-10,16H,4-5,7H2,1H3,(H,17,18)

InChIKeyBTKVZRSIAWEBHP-UHFFFAOYSA-N

MW254.28 g/mol

LogP1.40

Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 119503198) has the molecular formula C₁₃H₁₆F₂N₂O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID	119503198
Molecular Formula	C₁₃H₁₆F₂N₂O
Molecular Weight	254.28 g/mol
Exact Mass	254.12
IUPAC Name	2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
SMILES	CNCCNC(=O)C1CC1c1ccc(F)c(F)c1
InChI	InChI=1S/C13H16F2N2O/c1-16-4-5-17-13(18)10-7-9(10)8-2-3-11(14)12(15)6-8/h2-3,6,9-10,16H,4-5,7H2,1H3,(H,17,18)
InChIKey	BTKVZRSIAWEBHP-UHFFFAOYSA-N
XLogP	1.40
TPSA	41.13 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.28
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide (CID 119503198) is 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide is CNCCNC(=O)C1CC1c1ccc(F)c(F)c1.

What is the InChIKey of 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?

The InChIKey is BTKVZRSIAWEBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-16-4-5-17-13(18)10-7-9(10)8-2-3-11(14)12(15)6-8/h2-3,6,9-10,16H,4-5,7H2,1H3,(H,17,18).

What are the key properties of 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?

2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119503198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 119503198 — identifiers, structure, computed properties (public domain)

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