3-chloro-4-[(2-methylphenoxy)methyl]benzamide

C15H14ClNO2 — CID 102670666

IUPAC3-chloro-4-[(2-methylphenoxy)methyl]benzamide
SMILESCc1ccccc1OCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-3-5-14(10)19-9-12-7-6-11(15(17)18)8-13(12)16/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyYMNMTEXNJPAXNP-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.33
Rot. Bonds4

About 3-chloro-4-[(2-methylphenoxy)methyl]benzamide

3-chloro-4-[(2-methylphenoxy)methyl]benzamide (PubChem CID 102670666) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-4-[(2-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-methylphenoxy)methyl]benzamide
PubChem CID102670666
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-chloro-4-[(2-methylphenoxy)methyl]benzamide
SMILESCc1ccccc1OCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-3-5-14(10)19-9-12-7-6-11(15(17)18)8-13(12)16/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyYMNMTEXNJPAXNP-UHFFFAOYSA-N
XLogP3.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
3-chloro-4-[(2-ethylphenoxy)methyl]benzenecarbothioamide
CID 102666566
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methylphenoxy)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-methylphenoxy)methyl]benzamide (CID 102670666) is 3-chloro-4-[(2-methylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-methylphenoxy)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-methylphenoxy)methyl]benzamide is Cc1ccccc1OCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-methylphenoxy)methyl]benzamide?
The InChIKey is YMNMTEXNJPAXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-4-2-3-5-14(10)19-9-12-7-6-11(15(17)18)8-13(12)16/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 3-chloro-4-[(2-methylphenoxy)methyl]benzamide?
3-chloro-4-[(2-methylphenoxy)methyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 102670666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).