4-chloro-N-(3-hydroxypropyl)benzamide

C10H12ClNO2 — CID 2054599

IUPAC4-chloro-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-9-4-2-8(3-5-9)10(14)12-6-1-7-13/h2-5,13H,1,6-7H2,(H,12,14)
InChIKeyPADHMBUKAYAQIW-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.45
Rot. Bonds4

About 4-chloro-N-(3-hydroxypropyl)benzamide

4-chloro-N-(3-hydroxypropyl)benzamide (PubChem CID 2054599) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxypropyl)benzamide
PubChem CID2054599
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-chloro-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-9-4-2-8(3-5-9)10(14)12-6-1-7-13/h2-5,13H,1,6-7H2,(H,12,14)
InChIKeyPADHMBUKAYAQIW-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-chloro-N-(3-hydroxypropyl)benzamide (CID 2054599) is 4-chloro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-hydroxypropyl)benzamide is O=C(NCCCO)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-hydroxypropyl)benzamide?
The InChIKey is PADHMBUKAYAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-4-2-8(3-5-9)10(14)12-6-1-7-13/h2-5,13H,1,6-7H2,(H,12,14).
What are the key properties of 4-chloro-N-(3-hydroxypropyl)benzamide?
4-chloro-N-(3-hydroxypropyl)benzamide has a molecular weight of 213.66 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 2054599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).