3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide

C15H14ClNO3 — CID 102668814

IUPAC3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(CO)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3/c16-14-7-11(15(17)19)3-4-12(14)9-20-13-5-1-10(8-18)2-6-13/h1-7,18H,8-9H2,(H2,17,19)
InChIKeyBAYGLHCVPLPFBL-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.51
Rot. Bonds5

About 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide

3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide (PubChem CID 102668814) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
PubChem CID102668814
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(CO)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3/c16-14-7-11(15(17)19)3-4-12(14)9-20-13-5-1-10(8-18)2-6-13/h1-7,18H,8-9H2,(H2,17,19)
InChIKeyBAYGLHCVPLPFBL-UHFFFAOYSA-N
XLogP2.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
CID 107708557
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide (CID 102668814) is 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide is NC(=O)c1ccc(COc2ccc(CO)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide?
The InChIKey is BAYGLHCVPLPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-14-7-11(15(17)19)3-4-12(14)9-20-13-5-1-10(8-18)2-6-13/h1-7,18H,8-9H2,(H2,17,19).
What are the key properties of 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide?
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide has a molecular weight of 291.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 102668814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).