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

C15H22ClN3O — CID 62978216

IUPAC5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCN(C)C1CC1
InChIInChI=1S/C15H22ClN3O/c1-3-17-14-7-4-11(16)10-13(14)15(20)18-8-9-19(2)12-5-6-12/h4,7,10,12,17H,3,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyGRGFJCOWQWCZET-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.60
Rot. Bonds7

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

5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide (PubChem CID 62978216) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
PubChem CID62978216
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCN(C)C1CC1
InChIInChI=1S/C15H22ClN3O/c1-3-17-14-7-4-11(16)10-13(14)15(20)18-8-9-19(2)12-5-6-12/h4,7,10,12,17H,3,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyGRGFJCOWQWCZET-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 63316487
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
CID 103529934
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
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-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298119
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 103529940
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide (CID 62978216) is 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)NCCN(C)C1CC1.
What is the InChIKey of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide?
The InChIKey is GRGFJCOWQWCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-17-14-7-4-11(16)10-13(14)15(20)18-8-9-19(2)12-5-6-12/h4,7,10,12,17H,3,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide?
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.60, 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]ethyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 62978216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).