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

C14H18ClNO3 — CID 102867141

IUPAC4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H18ClNO3/c1-19-13-9-10(15)5-6-12(13)14(18)16(7-8-17)11-3-2-4-11/h5-6,9,11,17H,2-4,7-8H2,1H3
InChIKeyWXPUFMBGJUAANQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.34
Rot. Bonds5

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

4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 102867141) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
PubChem CID102867141
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H18ClNO3/c1-19-13-9-10(15)5-6-12(13)14(18)16(7-8-17)11-3-2-4-11/h5-6,9,11,17H,2-4,7-8H2,1H3
InChIKeyWXPUFMBGJUAANQ-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 62174801
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
CID 102684529
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715
2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 115412770
N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
CID 66187779
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide (CID 102867141) is 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is WXPUFMBGJUAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-13-9-10(15)5-6-12(13)14(18)16(7-8-17)11-3-2-4-11/h5-6,9,11,17H,2-4,7-8H2,1H3.
What are the key properties of 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 102867141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).