2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide

C10H12ClN3O — CID 62496991

IUPAC2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1CC1N
InChIInChI=1S/C10H12ClN3O/c11-5-2-1-3-7(9(5)10(13)15)14-8-4-6(8)12/h1-3,6,8,14H,4,12H2,(H2,13,15)
InChIKeyYEJZQOXLCUNZKR-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.95
Rot. Bonds3

About 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide

2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide (PubChem CID 62496991) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide
PubChem CID62496991
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1CC1N
InChIInChI=1S/C10H12ClN3O/c11-5-2-1-3-7(9(5)10(13)15)14-8-4-6(8)12/h1-3,6,8,14H,4,12H2,(H2,13,15)
InChIKeyYEJZQOXLCUNZKR-UHFFFAOYSA-N
XLogP0.95
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
CID 63258411
2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
CID 114884697
2-chloro-6-(methylamino)benzamide
CID 58906344
2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide
CID 66213061
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide
CID 66212527
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364838
3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide
CID 63888825
2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
CID 81089935
2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide
CID 127266737
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide?
The IUPAC name of 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide (CID 62496991) is 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide.
What is the SMILES notation for 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide?
The canonical SMILES for 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1NC1CC1N.
What is the InChIKey of 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide?
The InChIKey is YEJZQOXLCUNZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-5-2-1-3-7(9(5)10(13)15)14-8-4-6(8)12/h1-3,6,8,14H,4,12H2,(H2,13,15).
What are the key properties of 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide?
2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide has a molecular weight of 225.68 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide is sourced from PubChem (CID 62496991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).