2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide

C16H16ClNO3 — CID 106501748

IUPAC2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(O)ccc1Cl
InChIInChI=1S/C16H16ClNO3/c17-15-8-7-12(19)11-14(15)16(20)18-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)
InChIKeyJXXBNUBCFFPPPW-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide

2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide (PubChem CID 106501748) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
PubChem CID106501748
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(O)ccc1Cl
InChIInChI=1S/C16H16ClNO3/c17-15-8-7-12(19)11-14(15)16(20)18-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)
InChIKeyJXXBNUBCFFPPPW-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
CID 107722899
2-chloro-N-(3-phenoxypropyl)-5-sulfanylbenzamide
CID 107028301
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
2-chloro-N-[2-[[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111417417
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide (CID 106501748) is 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide is O=C(NCCCOc1ccccc1)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide?
The InChIKey is JXXBNUBCFFPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-15-8-7-12(19)11-14(15)16(20)18-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11,19H,4,9-10H2,(H,18,20).
What are the key properties of 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide?
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 106501748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).