N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide

C11H13ClFNO2 — CID 94688694

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
SMILESO=C(CCCO)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c12-9-3-1-4-10(13)8(9)7-14-11(16)5-2-6-15/h1,3-4,15H,2,5-7H2,(H,14,16)
InChIKeyIVZOCZFTIAKCNR-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.87
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide (PubChem CID 94688694) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
PubChem CID94688694
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
SMILESO=C(CCCO)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c12-9-3-1-4-10(13)8(9)7-14-11(16)5-2-6-15/h1,3-4,15H,2,5-7H2,(H,14,16)
InChIKeyIVZOCZFTIAKCNR-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide 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

N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]-4-oxobutanoate
CID 94698209
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
3-[(2-chloro-6-fluorophenyl)methylamino]-3-methylbutanamide
CID 104580447
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide (CID 94688694) is N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide is O=C(CCCO)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide?
The InChIKey is IVZOCZFTIAKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-9-3-1-4-10(13)8(9)7-14-11(16)5-2-6-15/h1,3-4,15H,2,5-7H2,(H,14,16).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide has a molecular weight of 245.68 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide is sourced from PubChem (CID 94688694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).