2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide

C12H17ClN2O2 — CID 106502576

IUPAC2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(2)14-5-6-15-12(17)10-7-9(16)3-4-11(10)13/h3-4,7-8,14,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyPNTOIRWMWRSXIZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.77
Rot. Bonds5

About 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide

2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 106502576) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID106502576
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(2)14-5-6-15-12(17)10-7-9(16)3-4-11(10)13/h3-4,7-8,14,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyPNTOIRWMWRSXIZ-UHFFFAOYSA-N
XLogP1.77
TPSA61.36 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 ≤ 51.77
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

methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
CID 106502147
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 106502576) is 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide is CC(C)NCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is PNTOIRWMWRSXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)14-5-6-15-12(17)10-7-9(16)3-4-11(10)13/h3-4,7-8,14,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 256.73 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 106502576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).