4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide

C12H14ClN3O — CID 55152995

IUPAC4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC2C3CNCC32)cc1Cl
InChIInChI=1S/C12H14ClN3O/c13-10-3-6(1-2-7(10)12(14)17)16-11-8-4-15-5-9(8)11/h1-3,8-9,11,15-16H,4-5H2,(H2,14,17)
InChIKeyNGSAQIJZMTYBIK-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.07
Rot. Bonds3

About 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide (PubChem CID 55152995) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
PubChem CID55152995
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC2C3CNCC32)cc1Cl
InChIInChI=1S/C12H14ClN3O/c13-10-3-6(1-2-7(10)12(14)17)16-11-8-4-15-5-9(8)11/h1-3,8-9,11,15-16H,4-5H2,(H2,14,17)
InChIKeyNGSAQIJZMTYBIK-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
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CID 81124281
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892
4-(azetidin-3-ylamino)-2-methylbenzamide
CID 81279115
2-chloro-4-(morpholin-2-ylmethylamino)benzamide
CID 115324268
N-(4-carbamoyl-3-chlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891367
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
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CID 66429113

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide (CID 55152995) is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide is NC(=O)c1ccc(NC2C3CNCC32)cc1Cl.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide?
The InChIKey is NGSAQIJZMTYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-3-6(1-2-7(10)12(14)17)16-11-8-4-15-5-9(8)11/h1-3,8-9,11,15-16H,4-5H2,(H2,14,17).
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide?
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide has a molecular weight of 251.72 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide is sourced from PubChem (CID 55152995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).