4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

C16H19Cl2N3O2 — CID 86930184

IUPAC4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(Cl)c(Cl)[nH]2)N(C)C)cc1
InChIInChI=1S/C16H19Cl2N3O2/c1-21(2)14(10-4-6-11(23-3)7-5-10)9-19-16(22)13-8-12(17)15(18)20-13/h4-8,14,20H,9H2,1-3H3,(H,19,22)
InChIKeyWPCPHCOHTQYZNN-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.36
Rot. Bonds6

About 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 86930184) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID86930184
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(Cl)c(Cl)[nH]2)N(C)C)cc1
InChIInChI=1S/C16H19Cl2N3O2/c1-21(2)14(10-4-6-11(23-3)7-5-10)9-19-16(22)13-8-12(17)15(18)20-13/h4-8,14,20H,9H2,1-3H3,(H,19,22)
InChIKeyWPCPHCOHTQYZNN-UHFFFAOYSA-N
XLogP3.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
6-chloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55406860
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 86930184) is 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is COc1ccc(C(CNC(=O)c2cc(Cl)c(Cl)[nH]2)N(C)C)cc1.
What is the InChIKey of 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WPCPHCOHTQYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-21(2)14(10-4-6-11(23-3)7-5-10)9-19-16(22)13-8-12(17)15(18)20-13/h4-8,14,20H,9H2,1-3H3,(H,19,22).
What are the key properties of 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86930184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).