3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide

C13H16ClNO2 — CID 81323274

IUPAC3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H16ClNO2/c1-8-4-10(6-11(14)5-8)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyLPBDHJZAGZEWSH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide

3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide (PubChem CID 81323274) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
PubChem CID81323274
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H16ClNO2/c1-8-4-10(6-11(14)5-8)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyLPBDHJZAGZEWSH-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
N-(2-bromo-2-cyclopropylethyl)-3-chloro-5-methylbenzamide
CID 114315780
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
CID 111425871
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide (CID 81323274) is 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCC(O)C2CC2)c1.
What is the InChIKey of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide?
The InChIKey is LPBDHJZAGZEWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-4-10(6-11(14)5-8)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide?
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide is sourced from PubChem (CID 81323274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).