4-[(4-chlorophenoxy)methyl]-3-methylbenzamide

C15H14ClNO2 — CID 114486227

IUPAC4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-10-8-11(15(17)18)2-3-12(10)9-19-14-6-4-13(16)5-7-14/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyDUGJNIFDSBOLDU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.33
Rot. Bonds4

About 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide

4-[(4-chlorophenoxy)methyl]-3-methylbenzamide (PubChem CID 114486227) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
PubChem CID114486227
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-10-8-11(15(17)18)2-3-12(10)9-19-14-6-4-13(16)5-7-14/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyDUGJNIFDSBOLDU-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

4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
4-(2-aminoethoxymethyl)-3-methylbenzamide
CID 114484486
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide (CID 114486227) is 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1COc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide?
The InChIKey is DUGJNIFDSBOLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-8-11(15(17)18)2-3-12(10)9-19-14-6-4-13(16)5-7-14/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide?
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide 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 4-[(4-chlorophenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 114486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).