N-(3-chloropropyl)-3,5-dihydroxybenzamide

C10H12ClNO3 — CID 107705954

IUPACN-(3-chloropropyl)-3,5-dihydroxybenzamide
SMILESO=C(NCCCCl)c1cc(O)cc(O)c1
InChIInChI=1S/C10H12ClNO3/c11-2-1-3-12-10(15)7-4-8(13)6-9(14)5-7/h4-6,13-14H,1-3H2,(H,12,15)
InChIKeyDYZJPYAADWSRCF-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.46
Rot. Bonds4

About N-(3-chloropropyl)-3,5-dihydroxybenzamide

N-(3-chloropropyl)-3,5-dihydroxybenzamide (PubChem CID 107705954) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3,5-dihydroxybenzamide
PubChem CID107705954
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC NameN-(3-chloropropyl)-3,5-dihydroxybenzamide
SMILESO=C(NCCCCl)c1cc(O)cc(O)c1
InChIInChI=1S/C10H12ClNO3/c11-2-1-3-12-10(15)7-4-8(13)6-9(14)5-7/h4-6,13-14H,1-3H2,(H,12,15)
InChIKeyDYZJPYAADWSRCF-UHFFFAOYSA-N
XLogP1.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(6-chlorohexyl)-3,5-dihydroxybenzamide
CID 107847362
N-butyl-3,5-dihydroxybenzamide
CID 91715801
3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
CID 103895676
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(3-chloropropyl)-3,5-dihydroxybenzamide (CID 107705954) is N-(3-chloropropyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-chloropropyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(3-chloropropyl)-3,5-dihydroxybenzamide is O=C(NCCCCl)c1cc(O)cc(O)c1.
What is the InChIKey of N-(3-chloropropyl)-3,5-dihydroxybenzamide?
The InChIKey is DYZJPYAADWSRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-2-1-3-12-10(15)7-4-8(13)6-9(14)5-7/h4-6,13-14H,1-3H2,(H,12,15).
What are the key properties of N-(3-chloropropyl)-3,5-dihydroxybenzamide?
N-(3-chloropropyl)-3,5-dihydroxybenzamide has a molecular weight of 229.66 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107705954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).