N-(2-aminocycloheptyl)-4-chlorobenzamide

C14H19ClN2O — CID 63258248

IUPACN-(2-aminocycloheptyl)-4-chlorobenzamide
SMILESNC1CCCCCC1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c15-11-8-6-10(7-9-11)14(18)17-13-5-3-1-2-4-12(13)16/h6-9,12-13H,1-5,16H2,(H,17,18)
InChIKeyDWDDTCHQVRHLHT-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.73
Rot. Bonds2

About N-(2-aminocycloheptyl)-4-chlorobenzamide

N-(2-aminocycloheptyl)-4-chlorobenzamide (PubChem CID 63258248) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-4-chlorobenzamide
PubChem CID63258248
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(2-aminocycloheptyl)-4-chlorobenzamide
SMILESNC1CCCCCC1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c15-11-8-6-10(7-9-11)14(18)17-13-5-3-1-2-4-12(13)16/h6-9,12-13H,1-5,16H2,(H,17,18)
InChIKeyDWDDTCHQVRHLHT-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
CID 63258076
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-4-chlorobenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-4-chlorobenzamide (CID 63258248) is N-(2-aminocycloheptyl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-4-chlorobenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-4-chlorobenzamide is NC1CCCCCC1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminocycloheptyl)-4-chlorobenzamide?
The InChIKey is DWDDTCHQVRHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-11-8-6-10(7-9-11)14(18)17-13-5-3-1-2-4-12(13)16/h6-9,12-13H,1-5,16H2,(H,17,18).
What are the key properties of N-(2-aminocycloheptyl)-4-chlorobenzamide?
N-(2-aminocycloheptyl)-4-chlorobenzamide has a molecular weight of 266.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-4-chlorobenzamide is sourced from PubChem (CID 63258248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).