4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide

C13H16ClNO3 — CID 63298974

IUPAC4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(O)C1CC1
InChIInChI=1S/C13H16ClNO3/c1-18-12-6-9(14)4-5-10(12)13(17)15-7-11(16)8-2-3-8/h4-6,8,11,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyXNKBUXTZLTWBFP-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.85
Rot. Bonds5

About 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 63298974) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
PubChem CID63298974
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(O)C1CC1
InChIInChI=1S/C13H16ClNO3/c1-18-12-6-9(14)4-5-10(12)13(17)15-7-11(16)8-2-3-8/h4-6,8,11,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyXNKBUXTZLTWBFP-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide (CID 63298974) is 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCC(O)C1CC1.
What is the InChIKey of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is XNKBUXTZLTWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-12-6-9(14)4-5-10(12)13(17)15-7-11(16)8-2-3-8/h4-6,8,11,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide?
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 63298974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).