2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide

C11H10ClF2NO — CID 2217903

IUPAC2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide
SMILESCc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl
InChIInChI=1S/C11H10ClF2NO/c1-5-4-7(13)10(14)8(9(5)12)11(16)15-6-2-3-6/h4,6H,2-3H2,1H3,(H,15,16)
InChIKeyNASRHFROZNPEAF-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.82
Rot. Bonds2

About 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide

2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide (PubChem CID 2217903) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide
PubChem CID2217903
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide
SMILESCc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl
InChIInChI=1S/C11H10ClF2NO/c1-5-4-7(13)10(14)8(9(5)12)11(16)15-6-2-3-6/h4,6H,2-3H2,1H3,(H,15,16)
InChIKeyNASRHFROZNPEAF-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide (CID 2217903) is 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide is Cc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide?
The InChIKey is NASRHFROZNPEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c1-5-4-7(13)10(14)8(9(5)12)11(16)15-6-2-3-6/h4,6H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide?
2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide has a molecular weight of 245.66 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 2217903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).