(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide

C16H19Cl3N2O — CID 26209054

IUPAC(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C16H19Cl3N2O/c1-15(10-16(15,18)19)14(22)20-12-9-11(17)5-6-13(12)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyHSCFRKGRTSLKAQ-HNNXBMFYSA-N
MW361.70 g/mol
LogP4.85
Rot. Bonds3

About (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 26209054) has the molecular formula C16H19Cl3N2O and a molecular weight of 361.70 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID26209054
Molecular FormulaC16H19Cl3N2O
Molecular Weight361.70 g/mol
Exact Mass360.06
IUPAC Name(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C16H19Cl3N2O/c1-15(10-16(15,18)19)14(22)20-12-9-11(17)5-6-13(12)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyHSCFRKGRTSLKAQ-HNNXBMFYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.70
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide
CID 43004730
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111925885
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 30093775
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
CID 7892275

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide (CID 26209054) is (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide is C[C@@]1(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is HSCFRKGRTSLKAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19Cl3N2O/c1-15(10-16(15,18)19)14(22)20-12-9-11(17)5-6-13(12)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 361.70 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 26209054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).