5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide

C15H23ClN2O — CID 55042381

IUPAC5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-8-17-14-7-6-12(16)9-13(14)15(19)18-11(4)10(2)3/h6-7,9-11,17H,5,8H2,1-4H3,(H,18,19)
InChIKeyBAUGWLWODYISLG-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.94
Rot. Bonds6

About 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide

5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide (PubChem CID 55042381) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
PubChem CID55042381
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-8-17-14-7-6-12(16)9-13(14)15(19)18-11(4)10(2)3/h6-7,9-11,17H,5,8H2,1-4H3,(H,18,19)
InChIKeyBAUGWLWODYISLG-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 62170551
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide (CID 55042381) is 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NC(C)C(C)C.
What is the InChIKey of 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide?
The InChIKey is BAUGWLWODYISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-8-17-14-7-6-12(16)9-13(14)15(19)18-11(4)10(2)3/h6-7,9-11,17H,5,8H2,1-4H3,(H,18,19).
What are the key properties of 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide?
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide has a molecular weight of 282.81 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 55042381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).