4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

C15H16Cl2N2O3 — CID 78853112

IUPAC4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC
InChIInChI=1S/C15H16Cl2N2O3/c1-8(9-4-5-12(21-2)13(6-9)22-3)18-15(20)11-7-10(16)14(17)19-11/h4-8,19H,1-3H3,(H,18,20)
InChIKeyPOLZXZOXHQKCRS-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.83
Rot. Bonds5

About 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 78853112) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID78853112
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC
InChIInChI=1S/C15H16Cl2N2O3/c1-8(9-4-5-12(21-2)13(6-9)22-3)18-15(20)11-7-10(16)14(17)19-11/h4-8,19H,1-3H3,(H,18,20)
InChIKeyPOLZXZOXHQKCRS-UHFFFAOYSA-N
XLogP3.83
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide
CID 112821206
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 78853112) is 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC.
What is the InChIKey of 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is POLZXZOXHQKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-8(9-4-5-12(21-2)13(6-9)22-3)18-15(20)11-7-10(16)14(17)19-11/h4-8,19H,1-3H3,(H,18,20).
What are the key properties of 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 343.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78853112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).