4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide

C15H15ClN2O2 — CID 106955508

IUPAC4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(COc2cc(N)ccc2C(N)=O)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-9-2-3-10(13(16)6-9)8-20-14-7-11(17)4-5-12(14)15(18)19/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyCNYJMTHGXDGQBK-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide

4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide (PubChem CID 106955508) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
PubChem CID106955508
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(COc2cc(N)ccc2C(N)=O)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-9-2-3-10(13(16)6-9)8-20-14-7-11(17)4-5-12(14)15(18)19/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyCNYJMTHGXDGQBK-UHFFFAOYSA-N
XLogP2.91
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
3-bromo-4-[(2-chloro-4-methylphenoxy)methyl]aniline
CID 55104427
ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 106955381

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide?
The IUPAC name of 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide (CID 106955508) is 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide is Cc1ccc(COc2cc(N)ccc2C(N)=O)c(Cl)c1.
What is the InChIKey of 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide?
The InChIKey is CNYJMTHGXDGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-2-3-10(13(16)6-9)8-20-14-7-11(17)4-5-12(14)15(18)19/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide?
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide has a molecular weight of 290.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 106955508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).