4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide

C16H18ClN3O — CID 63253284

IUPAC4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C16H18ClN3O/c1-2-7-20-10-12(17)9-15(20)16(21)19-13-3-4-14-11(8-13)5-6-18-14/h3-4,8-10,18H,2,5-7H2,1H3,(H,19,21)
InChIKeyRYJHQQXMXIJPRR-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.77
Rot. Bonds4

About 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide

4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 63253284) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide
PubChem CID63253284
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C16H18ClN3O/c1-2-7-20-10-12(17)9-15(20)16(21)19-13-3-4-14-11(8-13)5-6-18-14/h3-4,8-10,18H,2,5-7H2,1H3,(H,19,21)
InChIKeyRYJHQQXMXIJPRR-UHFFFAOYSA-N
XLogP3.77
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119473757
N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
CID 82771926
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-2-carboxamide
CID 63252721
2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
CID 103806044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide (CID 63253284) is 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is RYJHQQXMXIJPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-7-20-10-12(17)9-15(20)16(21)19-13-3-4-14-11(8-13)5-6-18-14/h3-4,8-10,18H,2,5-7H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide?
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63253284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).