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

C14H20ClN3O — CID 63258411

IUPAC2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1CCCCCC1N
InChIInChI=1S/C14H20ClN3O/c15-9-5-4-8-12(13(9)14(17)19)18-11-7-3-1-2-6-10(11)16/h4-5,8,10-11,18H,1-3,6-7,16H2,(H2,17,19)
InChIKeyKLRIHPIGWIBWLL-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.51
Rot. Bonds3

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

2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide (PubChem CID 63258411) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
PubChem CID63258411
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1NC1CCCCCC1N
InChIInChI=1S/C14H20ClN3O/c15-9-5-4-8-12(13(9)14(17)19)18-11-7-3-1-2-6-10(11)16/h4-5,8,10-11,18H,1-3,6-7,16H2,(H2,17,19)
InChIKeyKLRIHPIGWIBWLL-UHFFFAOYSA-N
XLogP2.51
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide
CID 62496991
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile
CID 63258366
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364838
4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
CID 63251907
2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
CID 102738776
2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
CID 63252046
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide
CID 66212527
2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide
CID 66213061
2-chloro-6-(methylamino)benzamide
CID 58906344
2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
CID 114884697

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide?
The IUPAC name of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide (CID 63258411) is 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide.
What is the SMILES notation for 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide?
The canonical SMILES for 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1NC1CCCCCC1N.
What is the InChIKey of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide?
The InChIKey is KLRIHPIGWIBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-9-5-4-8-12(13(9)14(17)19)18-11-7-3-1-2-6-10(11)16/h4-5,8,10-11,18H,1-3,6-7,16H2,(H2,17,19).
What are the key properties of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide?
2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide has a molecular weight of 281.79 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide is sourced from PubChem (CID 63258411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).