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

C16H25ClN2O — CID 63498965

IUPAC5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(CC)CCC
InChIInChI=1S/C16H25ClN2O/c1-4-7-13(6-3)19-16(20)14-11-12(17)8-9-15(14)18-10-5-2/h8-9,11,13,18H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyQWMHHMBVSNHWFS-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.47
Rot. Bonds8

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

5-chloro-N-hexan-3-yl-2-(propylamino)benzamide (PubChem CID 63498965) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
PubChem CID63498965
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(CC)CCC
InChIInChI=1S/C16H25ClN2O/c1-4-7-13(6-3)19-16(20)14-11-12(17)8-9-15(14)18-10-5-2/h8-9,11,13,18H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyQWMHHMBVSNHWFS-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 62170551
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
CID 106098354
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide (CID 63498965) is 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NC(CC)CCC.
What is the InChIKey of 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide?
The InChIKey is QWMHHMBVSNHWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-7-13(6-3)19-16(20)14-11-12(17)8-9-15(14)18-10-5-2/h8-9,11,13,18H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide?
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide has a molecular weight of 296.84 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexan-3-yl-2-(propylamino)benzamide is sourced from PubChem (CID 63498965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).