3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide

C18H26Cl2N2O — CID 20556403

IUPAC3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide
SMILESCN(C)C1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1
InChIInChI=1S/C18H26Cl2N2O/c1-21(2)17-13-14(20)7-6-10-16(17)22(18(23)11-12-19)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyKHIHSEOICVEHQG-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.13
Rot. Bonds5

About 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide

3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide (PubChem CID 20556403) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide
PubChem CID20556403
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide
SMILESCN(C)C1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1
InChIInChI=1S/C18H26Cl2N2O/c1-21(2)17-13-14(20)7-6-10-16(17)22(18(23)11-12-19)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyKHIHSEOICVEHQG-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Propachlor
CID 4931
Phenampromide
CID 8523
2-chloro-N-cyclohexyl-N-phenylacetamide
CID 2794916
2-chloro-N-ethyl-N-phenylpropanamide
CID 3817326
2-Chloro-N-ethylacetanilide
CID 94918
2-chloro-N-hexyl-N-phenylacetamide
CID 1602469
Acetanilide, N-(1-(dimethylcarbamoyl)ethyl)-
CID 56319
N-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 166627870
Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)-
CID 60130
Propionanilide, N-(1-(diethylcarbamoyl)ethyl)-
CID 3022090
Phenampromide hydrochloride
CID 3062539
2-chloro-N-(2-cyanoethyl)-N-phenylpropanamide
CID 3832680

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide (CID 20556403) is 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide is CN(C)C1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1.
What is the InChIKey of 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide?
The InChIKey is KHIHSEOICVEHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-21(2)17-13-14(20)7-6-10-16(17)22(18(23)11-12-19)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3.
What are the key properties of 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide?
3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide has a molecular weight of 357.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide is sourced from PubChem (CID 20556403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).