N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide

C16H15ClFNO2 — CID 104928613

IUPACN-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(11-4-3-5-12(17)8-11)19(2)16(21)14-7-6-13(20)9-15(14)18/h3-10,20H,1-2H3
InChIKeyGRNSHTZUMDAGTR-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.02
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide

N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide (PubChem CID 104928613) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
PubChem CID104928613
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(11-4-3-5-12(17)8-11)19(2)16(21)14-7-6-13(20)9-15(14)18/h3-10,20H,1-2H3
InChIKeyGRNSHTZUMDAGTR-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide 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

3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
CID 105069956
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
CID 62979803
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide (CID 104928613) is N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(O)cc1F.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide?
The InChIKey is GRNSHTZUMDAGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(11-4-3-5-12(17)8-11)19(2)16(21)14-7-6-13(20)9-15(14)18/h3-10,20H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide?
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide has a molecular weight of 307.75 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104928613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).