4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide

C13H16ClNO2 — CID 113251997

IUPAC4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
SMILESCCC1(CNC(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C13H16ClNO2/c1-2-13(5-6-13)8-15-12(17)10-4-3-9(14)7-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyRDTJMBAWRXYIBV-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide

4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide (PubChem CID 113251997) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
PubChem CID113251997
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
SMILESCCC1(CNC(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C13H16ClNO2/c1-2-13(5-6-13)8-15-12(17)10-4-3-9(14)7-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyRDTJMBAWRXYIBV-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80544557
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 114758174
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide (CID 113251997) is 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide is CCC1(CNC(=O)c2ccc(Cl)cc2O)CC1.
What is the InChIKey of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide?
The InChIKey is RDTJMBAWRXYIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-13(5-6-13)8-15-12(17)10-4-3-9(14)7-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide?
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 113251997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).