N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide

C25H23N3O2 — CID 68977988

IUPACN-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=CC(=O)NC2Cc3ccccc3C2)cc1
InChIInChI=1S/C25H23N3O2/c26-22-7-3-4-8-23(22)28-25(30)18-12-9-17(10-13-18)11-14-24(29)27-21-15-19-5-1-2-6-20(19)16-21/h1-14,21H,15-16,26H2,(H,27,29)(H,28,30)
InChIKeyFISXKZITPPWHQJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.82
Rot. Bonds5

About N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide

N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 68977988) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
PubChem CID68977988
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=CC(=O)NC2Cc3ccccc3C2)cc1
InChIInChI=1S/C25H23N3O2/c26-22-7-3-4-8-23(22)28-25(30)18-12-9-17(10-13-18)11-14-24(29)27-21-15-19-5-1-2-6-20(19)16-21/h1-14,21H,15-16,26H2,(H,27,29)(H,28,30)
InChIKeyFISXKZITPPWHQJ-UHFFFAOYSA-N
XLogP3.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 141088053
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CID 66893885
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CID 68976485
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
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CID 20786027
N-(2-aminophenyl)-4-[(Z)-2-(2-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzamide
CID 68769130
N-(2-aminophenyl)-3-[4-[2-(cyclohexylamino)-1-(cyclopropylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 68513464
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
(E)-3-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-2-(3H-1,2-benzodioxol-5-yl)-N-cyclopropylprop-2-enamide
CID 87568141
4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
CID 22478847
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide (CID 68977988) is N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C=CC(=O)NC2Cc3ccccc3C2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is FISXKZITPPWHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-22-7-3-4-8-23(22)28-25(30)18-12-9-17(10-13-18)11-14-24(29)27-21-15-19-5-1-2-6-20(19)16-21/h1-14,21H,15-16,26H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide?
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 68977988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).