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

C15H14ClNO4 — CID 107744001

IUPAC2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
SMILESCOc1cc(CO)ccc1Oc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C15H14ClNO4/c1-20-14-6-9(8-18)2-5-13(14)21-10-3-4-11(15(17)19)12(16)7-10/h2-7,18H,8H2,1H3,(H2,17,19)
InChIKeyDFCJDTLKSLJOBJ-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.73
Rot. Bonds5

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

2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide (PubChem CID 107744001) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide.

Molecular Properties

Compound Name2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
PubChem CID107744001
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
SMILESCOc1cc(CO)ccc1Oc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C15H14ClNO4/c1-20-14-6-9(8-18)2-5-13(14)21-10-3-4-11(15(17)19)12(16)7-10/h2-7,18H,8H2,1H3,(H2,17,19)
InChIKeyDFCJDTLKSLJOBJ-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

4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743804
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-methylpyridine-4-carboxamide
CID 107743933
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
2-chloro-4-[4-(methylamino)phenoxy]benzamide
CID 62945399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
The IUPAC name of 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide (CID 107744001) is 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide.
What is the SMILES notation for 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
The canonical SMILES for 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide is COc1cc(CO)ccc1Oc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
The InChIKey is DFCJDTLKSLJOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-14-6-9(8-18)2-5-13(14)21-10-3-4-11(15(17)19)12(16)7-10/h2-7,18H,8H2,1H3,(H2,17,19).
What are the key properties of 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide?
2-chloro-4-[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 2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide is sourced from PubChem (CID 107744001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).