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

C15H23ClN2O — CID 62170333

IUPAC5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)N(C)CC(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-8-17-14-7-6-12(16)9-13(14)15(19)18(4)10-11(2)3/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyPIFJMVPYEKMMPO-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.89
Rot. Bonds6

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

5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide (PubChem CID 62170333) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
PubChem CID62170333
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)N(C)CC(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-8-17-14-7-6-12(16)9-13(14)15(19)18(4)10-11(2)3/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyPIFJMVPYEKMMPO-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55083322
5-chloro-N-(2-methoxyethyl)-N-methyl-2-(propylamino)benzamide
CID 62178653
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 63228421
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176897
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
N,6-dimethyl-N-(2-methylpropyl)-4-(propylamino)pyridine-3-carboxamide
CID 81236127
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62509850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide (CID 62170333) is 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)N(C)CC(C)C.
What is the InChIKey of 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
The InChIKey is PIFJMVPYEKMMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-8-17-14-7-6-12(16)9-13(14)15(19)18(4)10-11(2)3/h6-7,9,11,17H,5,8,10H2,1-4H3.
What are the key properties of 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide has a molecular weight of 282.81 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62170333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).