4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide

C15H14ClNO4 — CID 107743804

IUPAC4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
SMILESCOc1cc(CO)ccc1Oc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H14ClNO4/c1-20-14-6-9(8-18)2-5-12(14)21-13-7-10(16)3-4-11(13)15(17)19/h2-7,18H,8H2,1H3,(H2,17,19)
InChIKeyZBVOJTOXJAZDGF-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide

4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide (PubChem CID 107743804) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
PubChem CID107743804
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
SMILESCOc1cc(CO)ccc1Oc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H14ClNO4/c1-20-14-6-9(8-18)2-5-12(14)21-13-7-10(16)3-4-11(13)15(17)19/h2-7,18H,8H2,1H3,(H2,17,19)
InChIKeyZBVOJTOXJAZDGF-UHFFFAOYSA-N
XLogP2.73
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107744001
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
4-chloro-2-methoxybenzamide
CID 19741766
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743034
5-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743036
4-chloro-2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709587
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
4-chloro-2-ethoxybenzamide
CID 126998915
4-chloro-N-[4-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 64794839
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
The IUPAC name of 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide (CID 107743804) is 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
The canonical SMILES for 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide is COc1cc(CO)ccc1Oc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
The InChIKey is ZBVOJTOXJAZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-14-6-9(8-18)2-5-12(14)21-13-7-10(16)3-4-11(13)15(17)19/h2-7,18H,8H2,1H3,(H2,17,19).
What are the key properties of 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide has a molecular weight of 307.73 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide is sourced from PubChem (CID 107743804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).