3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide

C22H20ClN3O — CID 71706434

IUPAC3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CC(Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C22H20ClN3O/c23-19-5-3-16(4-6-19)18(15-26-11-1-2-12-26)14-22(27)25-20-7-8-21-17(13-20)9-10-24-21/h1-13,18,24H,14-15H2,(H,25,27)
InChIKeyPIEHQRZOTSUCPV-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.44
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide

3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 71706434) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide
PubChem CID71706434
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CC(Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C22H20ClN3O/c23-19-5-3-16(4-6-19)18(15-26-11-1-2-12-26)14-22(27)25-20-7-8-21-17(13-20)9-10-24-21/h1-13,18,24H,14-15H2,(H,25,27)
InChIKeyPIEHQRZOTSUCPV-UHFFFAOYSA-N
XLogP5.44
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
CID 97266791
(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
CID 97266547
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 124878936
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide
CID 170242354
2,4-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571914
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
CID 110205332
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide (CID 71706434) is 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide is O=C(CC(Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is PIEHQRZOTSUCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-19-5-3-16(4-6-19)18(15-26-11-1-2-12-26)14-22(27)25-20-7-8-21-17(13-20)9-10-24-21/h1-13,18,24H,14-15H2,(H,25,27).
What are the key properties of 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide?
3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide has a molecular weight of 377.88 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 71706434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).