3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide

C15H20ClNO2 — CID 107097897

IUPAC3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H20ClNO2/c1-11-13(7-3-8-14(11)16)15(19)17(9-4-10-18)12-5-2-6-12/h3,7-8,12,18H,2,4-6,9-10H2,1H3
InChIKeyWFPSBZRCPHOPNI-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.03
Rot. Bonds5

About 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide (PubChem CID 107097897) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
PubChem CID107097897
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H20ClNO2/c1-11-13(7-3-8-14(11)16)15(19)17(9-4-10-18)12-5-2-6-12/h3,7-8,12,18H,2,4-6,9-10H2,1H3
InChIKeyWFPSBZRCPHOPNI-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
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CID 11162642
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
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3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
CID 102866356
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
CID 102866453
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107098226
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 115540101
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide (CID 107097897) is 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide?
The InChIKey is WFPSBZRCPHOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-13(7-3-8-14(11)16)15(19)17(9-4-10-18)12-5-2-6-12/h3,7-8,12,18H,2,4-6,9-10H2,1H3.
What are the key properties of 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide?
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide is sourced from PubChem (CID 107097897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).