5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide

C13H16ClNO2 — CID 43420549

IUPAC5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClNO2/c1-8(9-3-4-9)15(2)13(17)11-7-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3
InChIKeyNLEFYKFNNZKFNS-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.92
Rot. Bonds3

About 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide

5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 43420549) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
PubChem CID43420549
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClNO2/c1-8(9-3-4-9)15(2)13(17)11-7-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3
InChIKeyNLEFYKFNNZKFNS-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
4-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420571
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
5-chloro-N-(2-cyclopropylpropyl)-2-hydroxybenzamide
CID 115591206
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43796704
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 43420538
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108
2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103891975
5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62001192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide (CID 43420549) is 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is NLEFYKFNNZKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8(9-3-4-9)15(2)13(17)11-7-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide?
5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 43420549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).