2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide

C15H14ClFN2O2 — CID 103818405

IUPAC2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-11-5-12(17)7-13(6-11)19-8-10-1-3-14(4-2-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyOBQCQSDAFXWSDS-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide

2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide (PubChem CID 103818405) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide
PubChem CID103818405
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-11-5-12(17)7-13(6-11)19-8-10-1-3-14(4-2-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyOBQCQSDAFXWSDS-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide 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-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
CID 115761971
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
2-[4-[(3,5-difluoroanilino)methyl]phenoxy]acetonitrile
CID 43764961
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide (CID 103818405) is 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide?
The InChIKey is OBQCQSDAFXWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-5-12(17)7-13(6-11)19-8-10-1-3-14(4-2-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide?
2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide has a molecular weight of 308.74 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 103818405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).