N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide

C11H13ClFNO2 — CID 115139194

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1ccc(F)c(Cl)c1)C(=O)CCO
InChIInChI=1S/C11H13ClFNO2/c1-14(11(16)4-5-15)7-8-2-3-10(13)9(12)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKeyNWELVXDCTZISRH-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.82
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide

N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139194) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139194
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1ccc(F)c(Cl)c1)C(=O)CCO
InChIInChI=1S/C11H13ClFNO2/c1-14(11(16)4-5-15)7-8-2-3-10(13)9(12)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKeyNWELVXDCTZISRH-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139146
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 115181647

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide (CID 115139194) is N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide is CN(Cc1ccc(F)c(Cl)c1)C(=O)CCO.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is NWELVXDCTZISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-14(11(16)4-5-15)7-8-2-3-10(13)9(12)6-8/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 245.68 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).