2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide

C15H15ClN2O2 — CID 10732289

IUPAC2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
SMILESNC(=O)CNc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-2-11(8-12)10-20-14-6-4-13(5-7-14)18-9-15(17)19/h1-8,18H,9-10H2,(H2,17,19)
InChIKeyBYHQKKQXFQDXIA-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.82
Rot. Bonds6

About 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide

2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide (PubChem CID 10732289) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
PubChem CID10732289
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
SMILESNC(=O)CNc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-2-11(8-12)10-20-14-6-4-13(5-7-14)18-9-15(17)19/h1-8,18H,9-10H2,(H2,17,19)
InChIKeyBYHQKKQXFQDXIA-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide
CID 67730836
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide (CID 10732289) is 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide is NC(=O)CNc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide?
The InChIKey is BYHQKKQXFQDXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-3-1-2-11(8-12)10-20-14-6-4-13(5-7-14)18-9-15(17)19/h1-8,18H,9-10H2,(H2,17,19).
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide?
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide is sourced from PubChem (CID 10732289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).