4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide

C15H14ClNO3 — CID 62911692

IUPAC4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
SMILESCC(O)c1ccc(Oc2ccc(C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-9(18)11-4-7-14(13(16)8-11)20-12-5-2-10(3-6-12)15(17)19/h2-9,18H,1H3,(H2,17,19)
InChIKeyYUWXKNAWINGCEU-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.28
Rot. Bonds4

About 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide

4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide (PubChem CID 62911692) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
PubChem CID62911692
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
SMILESCC(O)c1ccc(Oc2ccc(C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-9(18)11-4-7-14(13(16)8-11)20-12-5-2-10(3-6-12)15(17)19/h2-9,18H,1H3,(H2,17,19)
InChIKeyYUWXKNAWINGCEU-UHFFFAOYSA-N
XLogP3.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
4-(1-hydroxyethyl)benzamide
CID 22716490
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide?
The IUPAC name of 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide (CID 62911692) is 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide.
What is the SMILES notation for 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide?
The canonical SMILES for 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide is CC(O)c1ccc(Oc2ccc(C(N)=O)cc2)c(Cl)c1.
What is the InChIKey of 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide?
The InChIKey is YUWXKNAWINGCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9(18)11-4-7-14(13(16)8-11)20-12-5-2-10(3-6-12)15(17)19/h2-9,18H,1H3,(H2,17,19).
What are the key properties of 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide?
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide has a molecular weight of 291.73 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide is sourced from PubChem (CID 62911692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).