5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide

C16H24ClN3O — CID 103529934

IUPAC5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C16H24ClN3O/c1-4-18-15-8-5-12(17)9-14(15)16(21)19-10-11(2)20(3)13-6-7-13/h5,8-9,11,13,18H,4,6-7,10H2,1-3H3,(H,19,21)
InChIKeyDYJDJVMVTPPDBH-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.98
Rot. Bonds7

About 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide

5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide (PubChem CID 103529934) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
PubChem CID103529934
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C16H24ClN3O/c1-4-18-15-8-5-12(17)9-14(15)16(21)19-10-11(2)20(3)13-6-7-13/h5,8-9,11,13,18H,4,6-7,10H2,1-3H3,(H,19,21)
InChIKeyDYJDJVMVTPPDBH-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
5-chloro-N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)benzamide
CID 63995007
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
N-[2-(dimethylamino)propyl]-2-(ethylamino)-5-methylbenzamide
CID 62508874
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298119
N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)pyridine-4-carboxamide
CID 103738168
1-N-(4-chloro-2-nitrophenyl)-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103080726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide (CID 103529934) is 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)NCC(C)N(C)C1CC1.
What is the InChIKey of 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide?
The InChIKey is DYJDJVMVTPPDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-18-15-8-5-12(17)9-14(15)16(21)19-10-11(2)20(3)13-6-7-13/h5,8-9,11,13,18H,4,6-7,10H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide?
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 103529934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).