2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C17H18ClFN2O2 — CID 111777979

IUPAC2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CNc1cc(CO)ccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-21(10-12-2-5-14(19)6-3-12)17(23)9-20-16-8-13(11-22)4-7-15(16)18/h2-8,20,22H,9-11H2,1H3
InChIKeyIPWDRQUUGRDKDH-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 111777979) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID111777979
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CNc1cc(CO)ccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-21(10-12-2-5-14(19)6-3-12)17(23)9-20-16-8-13(11-22)4-7-15(16)18/h2-8,20,22H,9-11H2,1H3
InChIKeyIPWDRQUUGRDKDH-UHFFFAOYSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide 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

4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 110929606
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 38045516

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 111777979) is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)CNc1cc(CO)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is IPWDRQUUGRDKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-21(10-12-2-5-14(19)6-3-12)17(23)9-20-16-8-13(11-22)4-7-15(16)18/h2-8,20,22H,9-11H2,1H3.
What are the key properties of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 336.79 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 111777979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).