5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide

C14H21ClN2O — CID 55042884

IUPAC5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCC(C)C
InChIInChI=1S/C14H21ClN2O/c1-4-7-16-13-6-5-11(15)8-12(13)14(18)17-9-10(2)3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyXVVQJEIMUWMELF-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.55
Rot. Bonds6

About 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide

5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide (PubChem CID 55042884) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
PubChem CID55042884
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCC(C)C
InChIInChI=1S/C14H21ClN2O/c1-4-7-16-13-6-5-11(15)8-12(13)14(18)17-9-10(2)3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyXVVQJEIMUWMELF-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
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-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
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-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 62170551
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62185051
5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide (CID 55042884) is 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCC(C)C.
What is the InChIKey of 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide?
The InChIKey is XVVQJEIMUWMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-7-16-13-6-5-11(15)8-12(13)14(18)17-9-10(2)3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide?
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide is sourced from PubChem (CID 55042884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).