3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide

C10H11Cl2NO2 — CID 114293588

IUPAC3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
SMILESO=C(NCCCCl)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c11-4-1-5-13-10(15)7-2-3-9(14)8(12)6-7/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyMBDRVHWRFIFURG-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.40
Rot. Bonds4

About 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide

3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide (PubChem CID 114293588) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
PubChem CID114293588
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
SMILESO=C(NCCCCl)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c11-4-1-5-13-10(15)7-2-3-9(14)8(12)6-7/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyMBDRVHWRFIFURG-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
CID 62666300
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide (CID 114293588) is 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide is O=C(NCCCCl)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide?
The InChIKey is MBDRVHWRFIFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-4-1-5-13-10(15)7-2-3-9(14)8(12)6-7/h2-3,6,14H,1,4-5H2,(H,13,15).
What are the key properties of 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide?
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide has a molecular weight of 248.11 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide is sourced from PubChem (CID 114293588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).