2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide

C12H12Cl2FNO2 — CID 111445263

IUPAC2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2FNO2/c13-8-5-9(14)10(15)4-7(8)11(17)16-6-12(18)2-1-3-12/h4-5,18H,1-3,6H2,(H,16,17)
InChIKeyHWKOJHMTTXBZQF-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.78
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide

2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111445263) has the molecular formula C12H12Cl2FNO2 and a molecular weight of 292.14 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111445263
Molecular FormulaC12H12Cl2FNO2
Molecular Weight292.14 g/mol
Exact Mass291.02
IUPAC Name2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2FNO2/c13-8-5-9(14)10(15)4-7(8)11(17)16-6-12(18)2-1-3-12/h4-5,18H,1-3,6H2,(H,16,17)
InChIKeyHWKOJHMTTXBZQF-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 39177580
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
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-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111445263) is 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1(O)CCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is HWKOJHMTTXBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO2/c13-8-5-9(14)10(15)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 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide?
2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 292.14 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111445263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).