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

C22H20ClN3O — CID 97266791

IUPAC(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C22H20ClN3O/c23-18-8-6-16(7-9-18)17(15-26-12-1-2-13-26)14-22(27)25-21-5-3-4-20-19(21)10-11-24-20/h1-13,17,24H,14-15H2,(H,25,27)/t17-/m1/s1
InChIKeyYFQNIGWQCXLORL-QGZVFWFLSA-N
MW377.88 g/mol
LogP5.44
Rot. Bonds6

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

(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 97266791) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
PubChem CID97266791
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C22H20ClN3O/c23-18-8-6-16(7-9-18)17(15-26-12-1-2-13-26)14-22(27)25-21-5-3-4-20-19(21)10-11-24-20/h1-13,17,24H,14-15H2,(H,25,27)/t17-/m1/s1
InChIKeyYFQNIGWQCXLORL-QGZVFWFLSA-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

3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide
CID 71706434
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide
CID 56762930
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
CID 97266547
N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39309484
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 97264660
3-(4-chlorophenyl)-4-pyrrol-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butan-1-one
CID 71704090
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
CID 110205332
N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239638
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide (CID 97266791) is (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide is O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccc2[nH]ccc12.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is YFQNIGWQCXLORL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-18-8-6-16(7-9-18)17(15-26-12-1-2-13-26)14-22(27)25-21-5-3-4-20-19(21)10-11-24-20/h1-13,17,24H,14-15H2,(H,25,27)/t17-/m1/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide?
(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-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 (3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 97266791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).