4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide

C12H12ClF2NO2 — CID 656136

IUPAC4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F
InChIInChI=1S/C12H12ClF2NO2/c13-9-4-3-8(10(14)11(9)15)12(17)16-6-7-2-1-5-18-7/h3-4,7H,1-2,5-6H2,(H,16,17)
InChIKeyBEWVMRKFOUEGRW-UHFFFAOYSA-N
MW275.68 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide

4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 656136) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID656136
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F
InChIInChI=1S/C12H12ClF2NO2/c13-9-4-3-8(10(14)11(9)15)12(17)16-6-7-2-1-5-18-7/h3-4,7H,1-2,5-6H2,(H,16,17)
InChIKeyBEWVMRKFOUEGRW-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2932408
1-(4-chlorobenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2921033
N-{2-(4-Chloro-phenyl)-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755116
2-chloro-N-{3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]propyl}benzamide
CID 3411281
4-chloro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4422972
2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
CID 4883846
N-(oxolan-2-ylmethyl)benzamide
CID 2842558
Benzamide, N-tetrahydrofurfuryl-4-fluoro-
CID 531952
Benzamide, p-chloro-N-(2-oxotetrahydro-3-furyl)-
CID 53720
4-(4-Chloro-2,3-difluorobenzoyl)morpholine
CID 1297149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide (CID 656136) is 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F.
What is the InChIKey of 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BEWVMRKFOUEGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c13-9-4-3-8(10(14)11(9)15)12(17)16-6-7-2-1-5-18-7/h3-4,7H,1-2,5-6H2,(H,16,17).
What are the key properties of 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide?
4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 275.68 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 656136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).