(2-aminocycloheptyl)-(2-chlorophenyl)methanone

C14H18ClNO — CID 116595085

IUPAC(2-aminocycloheptyl)-(2-chlorophenyl)methanone
SMILESNC1CCCCCC1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO/c15-12-8-5-4-6-10(12)14(17)11-7-2-1-3-9-13(11)16/h4-6,8,11,13H,1-3,7,9,16H2
InChIKeyVXVVSIRZSJXVJP-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.43
Rot. Bonds2

About (2-aminocycloheptyl)-(2-chlorophenyl)methanone

(2-aminocycloheptyl)-(2-chlorophenyl)methanone (PubChem CID 116595085) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(2-chlorophenyl)methanone
PubChem CID116595085
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(2-aminocycloheptyl)-(2-chlorophenyl)methanone
SMILESNC1CCCCCC1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO/c15-12-8-5-4-6-10(12)14(17)11-7-2-1-3-9-13(11)16/h4-6,8,11,13H,1-3,7,9,16H2
InChIKeyVXVVSIRZSJXVJP-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopentyl)-(2-chlorophenyl)methanone
CID 116580051
(2-aminocycloheptyl)-isoquinolin-4-ylmethanone
CID 116595175
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
5-(2-chlorobenzoyl)imidazolidine-2,4-dione
CID 174599084
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(2-chlorophenyl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(2-chlorophenyl)methanone (CID 116595085) is (2-aminocycloheptyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(2-chlorophenyl)methanone is NC1CCCCCC1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-aminocycloheptyl)-(2-chlorophenyl)methanone?
The InChIKey is VXVVSIRZSJXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-8-5-4-6-10(12)14(17)11-7-2-1-3-9-13(11)16/h4-6,8,11,13H,1-3,7,9,16H2.
What are the key properties of (2-aminocycloheptyl)-(2-chlorophenyl)methanone?
(2-aminocycloheptyl)-(2-chlorophenyl)methanone has a molecular weight of 251.76 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 116595085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).