5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide

C15H21ClN4O — CID 107196417

IUPAC5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NC1CCN2CCCC2C1
InChIInChI=1S/C15H21ClN4O/c16-13-7-9(17)6-12(15(18)21)14(13)19-10-3-5-20-4-1-2-11(20)8-10/h6-7,10-11,19H,1-5,8,17H2,(H2,18,21)
InChIKeyKUDFCJVLHZWXTE-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.06
Rot. Bonds3

About 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide

5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide (PubChem CID 107196417) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
PubChem CID107196417
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NC1CCN2CCCC2C1
InChIInChI=1S/C15H21ClN4O/c16-13-7-9(17)6-12(15(18)21)14(13)19-10-3-5-20-4-1-2-11(20)8-10/h6-7,10-11,19H,1-5,8,17H2,(H2,18,21)
InChIKeyKUDFCJVLHZWXTE-UHFFFAOYSA-N
XLogP2.06
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
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2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
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2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
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5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
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5-amino-3-chloro-2-(oxan-3-ylamino)benzoic acid
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5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
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4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyrimidine-2,4-diamine
CID 112731021
6-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-chloropyridine-3-carboxamide
CID 78916895
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methylbenzene-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide?
The IUPAC name of 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide (CID 107196417) is 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide is NC(=O)c1cc(N)cc(Cl)c1NC1CCN2CCCC2C1.
What is the InChIKey of 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide?
The InChIKey is KUDFCJVLHZWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-13-7-9(17)6-12(15(18)21)14(13)19-10-3-5-20-4-1-2-11(20)8-10/h6-7,10-11,19H,1-5,8,17H2,(H2,18,21).
What are the key properties of 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide?
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide has a molecular weight of 308.81 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide is sourced from PubChem (CID 107196417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).