5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide

C12H17ClN2O2 — CID 43601629

IUPAC5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
SMILESCCNCCCNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H17ClN2O2/c1-2-14-6-3-7-15-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,14,16H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyXFPQMMHIIJDWIF-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.77
Rot. Bonds6

About 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide

5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide (PubChem CID 43601629) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
PubChem CID43601629
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
SMILESCCNCCCNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H17ClN2O2/c1-2-14-6-3-7-15-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,14,16H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyXFPQMMHIIJDWIF-UHFFFAOYSA-N
XLogP1.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide (CID 43601629) is 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide is CCNCCCNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide?
The InChIKey is XFPQMMHIIJDWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-14-6-3-7-15-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,14,16H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide?
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 43601629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).