2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide

C19H26Cl2N2O — CID 20556379

IUPAC2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide
SMILESCN(C)C1CC(Cl)CCCC1N(C(=O)C1CC1Cl)c1ccccc1
InChIInChI=1S/C19H26Cl2N2O/c1-22(2)18-11-13(20)7-6-10-17(18)23(14-8-4-3-5-9-14)19(24)15-12-16(15)21/h3-5,8-9,13,15-18H,6-7,10-12H2,1-2H3
InChIKeyWLTUJMIFBGTCHX-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.13
Rot. Bonds4

About 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide

2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide (PubChem CID 20556379) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide
PubChem CID20556379
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide
SMILESCN(C)C1CC(Cl)CCCC1N(C(=O)C1CC1Cl)c1ccccc1
InChIInChI=1S/C19H26Cl2N2O/c1-22(2)18-11-13(20)7-6-10-17(18)23(14-8-4-3-5-9-14)19(24)15-12-16(15)21/h3-5,8-9,13,15-18H,6-7,10-12H2,1-2H3
InChIKeyWLTUJMIFBGTCHX-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide (CID 20556379) is 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide is CN(C)C1CC(Cl)CCCC1N(C(=O)C1CC1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is WLTUJMIFBGTCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O/c1-22(2)18-11-13(20)7-6-10-17(18)23(14-8-4-3-5-9-14)19(24)15-12-16(15)21/h3-5,8-9,13,15-18H,6-7,10-12H2,1-2H3.
What are the key properties of 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide?
2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 20556379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).