N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide

C14H18F2N2O — CID 103638605

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
SMILESCCN(CCNC(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C14H18F2N2O/c1-2-18(10-6-7-10)9-8-17-14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9H2,1H3,(H,17,19)
InChIKeyREBKEXGSQRIOOA-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide

N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide (PubChem CID 103638605) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
PubChem CID103638605
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
SMILESCCN(CCNC(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C14H18F2N2O/c1-2-18(10-6-7-10)9-8-17-14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9H2,1H3,(H,17,19)
InChIKeyREBKEXGSQRIOOA-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyridine-2-carboxamide
CID 113304896
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
CID 113229925
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
CID 119874360
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide (CID 103638605) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide is CCN(CCNC(=O)c1cccc(F)c1F)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide?
The InChIKey is REBKEXGSQRIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-18(10-6-7-10)9-8-17-14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9H2,1H3,(H,17,19).
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide is sourced from PubChem (CID 103638605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).