N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide

C12H17ClN2O2 — CID 114146404

IUPACN-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
SMILESCC(N)CCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(14)3-2-6-15-12(17)10-7-9(16)4-5-11(10)13/h4-5,7-8,16H,2-3,6,14H2,1H3,(H,15,17)
InChIKeyKGAGLXIDRVEGGQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.90
Rot. Bonds5

About N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide

N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide (PubChem CID 114146404) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
PubChem CID114146404
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
SMILESCC(N)CCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(14)3-2-6-15-12(17)10-7-9(16)4-5-11(10)13/h4-5,7-8,16H,2-3,6,14H2,1H3,(H,15,17)
InChIKeyKGAGLXIDRVEGGQ-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.90
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

2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
CID 106502147
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide (CID 114146404) is N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide is CC(N)CCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is KGAGLXIDRVEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(14)3-2-6-15-12(17)10-7-9(16)4-5-11(10)13/h4-5,7-8,16H,2-3,6,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide?
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 114146404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).