N-butyl-N-cyclopropyl-2,3-difluorobenzamide

C14H17F2NO — CID 55210520

IUPACN-butyl-N-cyclopropyl-2,3-difluorobenzamide
SMILESCCCCN(C(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C14H17F2NO/c1-2-3-9-17(10-7-8-10)14(18)11-5-4-6-12(15)13(11)16/h4-6,10H,2-3,7-9H2,1H3
InChIKeyQPNJQIPMJMJXMI-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.37
Rot. Bonds5

About N-butyl-N-cyclopropyl-2,3-difluorobenzamide

N-butyl-N-cyclopropyl-2,3-difluorobenzamide (PubChem CID 55210520) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2,3-difluorobenzamide
PubChem CID55210520
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-butyl-N-cyclopropyl-2,3-difluorobenzamide
SMILESCCCCN(C(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C14H17F2NO/c1-2-3-9-17(10-7-8-10)14(18)11-5-4-6-12(15)13(11)16/h4-6,10H,2-3,7-9H2,1H3
InChIKeyQPNJQIPMJMJXMI-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
N-butyl-N-cyclopropyl-2-(propylamino)benzamide
CID 62179116
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
CID 81265864
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2,3-difluorobenzamide?
The IUPAC name of N-butyl-N-cyclopropyl-2,3-difluorobenzamide (CID 55210520) is N-butyl-N-cyclopropyl-2,3-difluorobenzamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-2,3-difluorobenzamide?
The canonical SMILES for N-butyl-N-cyclopropyl-2,3-difluorobenzamide is CCCCN(C(=O)c1cccc(F)c1F)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2,3-difluorobenzamide?
The InChIKey is QPNJQIPMJMJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-2-3-9-17(10-7-8-10)14(18)11-5-4-6-12(15)13(11)16/h4-6,10H,2-3,7-9H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-2,3-difluorobenzamide?
N-butyl-N-cyclopropyl-2,3-difluorobenzamide has a molecular weight of 253.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2,3-difluorobenzamide is sourced from PubChem (CID 55210520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).