N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide

C18H17F2NO — CID 119065438

IUPACN-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(-c2ccc(F)c(F)c2)cc1)C1CC1
InChIInChI=1S/C18H17F2NO/c1-2-21(15-8-9-15)18(22)13-5-3-12(4-6-13)14-7-10-16(19)17(20)11-14/h3-7,10-11,15H,2,8-9H2,1H3
InChIKeyPLUFNYOQPROYHJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.26
Rot. Bonds4

About N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide

N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide (PubChem CID 119065438) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide
PubChem CID119065438
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(-c2ccc(F)c(F)c2)cc1)C1CC1
InChIInChI=1S/C18H17F2NO/c1-2-21(15-8-9-15)18(22)13-5-3-12(4-6-13)14-7-10-16(19)17(20)11-14/h3-7,10-11,15H,2,8-9H2,1H3
InChIKeyPLUFNYOQPROYHJ-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide?
The IUPAC name of N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide (CID 119065438) is N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide?
The canonical SMILES for N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide is CCN(C(=O)c1ccc(-c2ccc(F)c(F)c2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide?
The InChIKey is PLUFNYOQPROYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-2-21(15-8-9-15)18(22)13-5-3-12(4-6-13)14-7-10-16(19)17(20)11-14/h3-7,10-11,15H,2,8-9H2,1H3.
What are the key properties of N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide?
N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide has a molecular weight of 301.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide is sourced from PubChem (CID 119065438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).