5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide

C16H24ClN3O — CID 63316487

IUPAC5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C16H24ClN3O/c1-18-15-8-7-12(17)11-14(15)16(21)19-9-10-20(2)13-5-3-4-6-13/h7-8,11,13,18H,3-6,9-10H2,1-2H3,(H,19,21)
InChIKeyPHMQUNXXJXCPNI-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.99
Rot. Bonds6

About 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide

5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide (PubChem CID 63316487) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
PubChem CID63316487
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C16H24ClN3O/c1-18-15-8-7-12(17)11-14(15)16(21)19-9-10-20(2)13-5-3-4-6-13/h7-8,11,13,18H,3-6,9-10H2,1-2H3,(H,19,21)
InChIKeyPHMQUNXXJXCPNI-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.99
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
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 62174801
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316220
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide
CID 79382058
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide (CID 63316487) is 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide?
The InChIKey is PHMQUNXXJXCPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-18-15-8-7-12(17)11-14(15)16(21)19-9-10-20(2)13-5-3-4-6-13/h7-8,11,13,18H,3-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide?
5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 63316487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).