2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide

C15H21ClN2O2 — CID 64550004

IUPAC2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC1(N)CCCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-11-5-6-13(12(9-11)14(17)19)20-10-15(18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H2,17,19)
InChIKeyAYBHLZCRSVOVEQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.87
Rot. Bonds4

About 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide

2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide (PubChem CID 64550004) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide
PubChem CID64550004
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC1(N)CCCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-11-5-6-13(12(9-11)14(17)19)20-10-15(18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H2,17,19)
InChIKeyAYBHLZCRSVOVEQ-UHFFFAOYSA-N
XLogP2.87
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile
CID 64571475
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide
CID 64549575
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
2-[(1-hydroxycyclohexyl)methoxy]benzamide
CID 65213697
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
5-chloro-2-(3-cyanopropoxy)benzamide
CID 45257682
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide (CID 64550004) is 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1OCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide?
The InChIKey is AYBHLZCRSVOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-11-5-6-13(12(9-11)14(17)19)20-10-15(18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H2,17,19).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide?
2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide has a molecular weight of 296.80 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide is sourced from PubChem (CID 64550004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).