2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide

C12H12ClF2NO2 — CID 111445199

IUPAC2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H12ClF2NO2/c13-8-5-10(15)9(14)4-7(8)11(17)16-6-12(18)2-1-3-12/h4-5,18H,1-3,6H2,(H,16,17)
InChIKeyWKEUWXCNJIKUDC-UHFFFAOYSA-N
MW275.68 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide

2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111445199) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111445199
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H12ClF2NO2/c13-8-5-10(15)9(14)4-7(8)11(17)16-6-12(18)2-1-3-12/h4-5,18H,1-3,6H2,(H,16,17)
InChIKeyWKEUWXCNJIKUDC-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111445199) is 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1(O)CCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is WKEUWXCNJIKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c13-8-5-10(15)9(14)4-7(8)11(17)16-6-12(18)2-1-3-12/h4-5,18H,1-3,6H2,(H,16,17).
What are the key properties of 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 275.68 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111445199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).