2-[3-(1H-indol-3-yl)propanoylamino]benzamide

C18H17N3O2 — CID 17415976

IUPAC2-[3-(1H-indol-3-yl)propanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2/c19-18(23)14-6-2-4-8-16(14)21-17(22)10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H2,19,23)(H,21,22)
InChIKeyNUCUJBCXGKLOIK-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.84
Rot. Bonds5

About 2-[3-(1H-indol-3-yl)propanoylamino]benzamide

2-[3-(1H-indol-3-yl)propanoylamino]benzamide (PubChem CID 17415976) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propanoylamino]benzamide
PubChem CID17415976
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[3-(1H-indol-3-yl)propanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2/c19-18(23)14-6-2-4-8-16(14)21-17(22)10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H2,19,23)(H,21,22)
InChIKeyNUCUJBCXGKLOIK-UHFFFAOYSA-N
XLogP2.84
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
3-(1H-indol-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35326224
(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 101045784
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 126852042
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
The IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]benzamide (CID 17415976) is 2-[3-(1H-indol-3-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propanoylamino]benzamide is NC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
The InChIKey is NUCUJBCXGKLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-18(23)14-6-2-4-8-16(14)21-17(22)10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H2,19,23)(H,21,22).
What are the key properties of 2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
2-[3-(1H-indol-3-yl)propanoylamino]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 17415976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).