4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide

C19H19Cl3N2O2 — CID 24748603

IUPAC4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19Cl3N2O2/c20-14-3-5-16(6-4-14)26-17-7-9-24(10-8-17)19(25)23-12-13-1-2-15(21)11-18(13)22/h1-6,11,17H,7-10,12H2,(H,23,25)
InChIKeyPZSLZMYTWPDNGQ-UHFFFAOYSA-N
MW413.73 g/mol
LogP5.40
Rot. Bonds4

About 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide

4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 24748603) has the molecular formula C19H19Cl3N2O2 and a molecular weight of 413.73 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID24748603
Molecular FormulaC19H19Cl3N2O2
Molecular Weight413.73 g/mol
Exact Mass412.05
IUPAC Name4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19Cl3N2O2/c20-14-3-5-16(6-4-14)26-17-7-9-24(10-8-17)19(25)23-12-13-1-2-15(21)11-18(13)22/h1-6,11,17H,7-10,12H2,(H,23,25)
InChIKeyPZSLZMYTWPDNGQ-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927664
4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
CID 173135978
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
N-[(2,4-dichlorophenyl)methyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126060422
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110356943
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide (CID 24748603) is 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is PZSLZMYTWPDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O2/c20-14-3-5-16(6-4-14)26-17-7-9-24(10-8-17)19(25)23-12-13-1-2-15(21)11-18(13)22/h1-6,11,17H,7-10,12H2,(H,23,25).
What are the key properties of 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 413.73 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 24748603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).