2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide

C19H18N4O2 — CID 85146314

IUPAC2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide
SMILESNc1ccccc1C(=O)NCC(=O)NC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c20-16-7-3-1-6-15(16)19(25)23-12-18(24)21-10-9-13-11-22-17-8-4-2-5-14(13)17/h1-11,22H,12,20H2,(H,21,24)(H,23,25)
InChIKeyDCQDGRBMXXRGIN-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide

2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide (PubChem CID 85146314) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide
PubChem CID85146314
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide
SMILESNc1ccccc1C(=O)NCC(=O)NC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c20-16-7-3-1-6-15(16)19(25)23-12-18(24)21-10-9-13-11-22-17-8-4-2-5-14(13)17/h1-11,22H,12,20H2,(H,21,24)(H,23,25)
InChIKeyDCQDGRBMXXRGIN-UHFFFAOYSA-N
XLogP2.27
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 135685527
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 137054711
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135795104

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide (CID 85146314) is 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide is Nc1ccccc1C(=O)NCC(=O)NC=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide?
The InChIKey is DCQDGRBMXXRGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-16-7-3-1-6-15(16)19(25)23-12-18(24)21-10-9-13-11-22-17-8-4-2-5-14(13)17/h1-11,22H,12,20H2,(H,21,24)(H,23,25).
What are the key properties of 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide?
2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 85146314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).