4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide

C14H16ClN3O2 — CID 43642936

IUPAC4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H16ClN3O2/c1-3-18-8-10(16)7-12(18)14(19)17-11-6-9(15)4-5-13(11)20-2/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyYCUUDNCXLWEVGT-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43642936) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID43642936
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H16ClN3O2/c1-3-18-8-10(16)7-12(18)14(19)17-11-6-9(15)4-5-13(11)20-2/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyYCUUDNCXLWEVGT-UHFFFAOYSA-N
XLogP3.00
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61104697
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide (CID 43642936) is 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is YCUUDNCXLWEVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-18-8-10(16)7-12(18)14(19)17-11-6-9(15)4-5-13(11)20-2/h4-8H,3,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43642936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).