4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide

C17H18ClNO3 — CID 84567072

IUPAC4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
SMILESCc1ccccc1OCC(O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-12-4-2-3-5-16(12)22-11-15(20)10-19-17(21)13-6-8-14(18)9-7-13/h2-9,15,20H,10-11H2,1H3,(H,19,21)
InChIKeyCKYWSBKYRVFGSW-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.82
Rot. Bonds6

About 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide

4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide (PubChem CID 84567072) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
PubChem CID84567072
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
SMILESCc1ccccc1OCC(O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-12-4-2-3-5-16(12)22-11-15(20)10-19-17(21)13-6-8-14(18)9-7-13/h2-9,15,20H,10-11H2,1H3,(H,19,21)
InChIKeyCKYWSBKYRVFGSW-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
CID 84564095
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-(4-methylphenyl)propanamide
CID 84568972
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide?
The IUPAC name of 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide (CID 84567072) is 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide is Cc1ccccc1OCC(O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide?
The InChIKey is CKYWSBKYRVFGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-4-2-3-5-16(12)22-11-15(20)10-19-17(21)13-6-8-14(18)9-7-13/h2-9,15,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide?
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 84567072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).