4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide

C19H20Cl2N4O2 — CID 86874780

IUPAC4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(Cl)c(Cl)[nH]3)ccc21
InChIInChI=1S/C19H20Cl2N4O2/c1-3-24(4-2)17(26)11-25-8-7-12-9-13(5-6-16(12)25)22-19(27)15-10-14(20)18(21)23-15/h5-10,23H,3-4,11H2,1-2H3,(H,22,27)
InChIKeyVCQXWGFOGLYCKI-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.40
Rot. Bonds6

About 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide (PubChem CID 86874780) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
PubChem CID86874780
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(Cl)c(Cl)[nH]3)ccc21
InChIInChI=1S/C19H20Cl2N4O2/c1-3-24(4-2)17(26)11-25-8-7-12-9-13(5-6-16(12)25)22-19(27)15-10-14(20)18(21)23-15/h5-10,23H,3-4,11H2,1-2H3,(H,22,27)
InChIKeyVCQXWGFOGLYCKI-UHFFFAOYSA-N
XLogP4.40
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
CID 86874806
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 47090193
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86874777
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide (CID 86874780) is 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(Cl)c(Cl)[nH]3)ccc21.
What is the InChIKey of 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is VCQXWGFOGLYCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-3-24(4-2)17(26)11-25-8-7-12-9-13(5-6-16(12)25)22-19(27)15-10-14(20)18(21)23-15/h5-10,23H,3-4,11H2,1-2H3,(H,22,27).
What are the key properties of 4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 4.40, 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-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86874780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).