N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide

C19H17N3O2 — CID 849604

IUPACN-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2cn(C(C)=O)c3ccccc23)cc1
InChIInChI=1S/C19H17N3O2/c1-13(23)21-17-9-7-16(8-10-17)20-11-15-12-22(14(2)24)19-6-4-3-5-18(15)19/h3-12H,1-2H3,(H,21,23)/b20-11+
InChIKeyMPMIFWRVEZKSTB-RGVLZGJSSA-N
MW319.36 g/mol
LogP4.01
Rot. Bonds3

About N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide

N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide (PubChem CID 849604) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide
PubChem CID849604
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2cn(C(C)=O)c3ccccc23)cc1
InChIInChI=1S/C19H17N3O2/c1-13(23)21-17-9-7-16(8-10-17)20-11-15-12-22(14(2)24)19-6-4-3-5-18(15)19/h3-12H,1-2H3,(H,21,23)/b20-11+
InChIKeyMPMIFWRVEZKSTB-RGVLZGJSSA-N
XLogP4.01
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[4-(diethylamino)phenyl]iminomethyl]indol-1-yl]ethanone
CID 849603
[(1-acetylindol-3-yl)methylideneamino]thiourea
CID 3429899
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095
1-[3-(2-nitroprop-1-enyl)indol-1-yl]ethanone
CID 744373
2-[(E)-(1-acetylindol-3-yl)methylideneamino]-4,5-dimethylthiophene-3-carbonitrile
CID 21240155
N-[(E)-(1-acetylindol-3-yl)methylideneamino]-5-nitrofuran-2-carboxamide
CID 45108901
N-[(E)-1-(1-acetylindol-3-yl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1080185
4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid
CID 23476815
1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
CID 177380005
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
CID 967738
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide (CID 849604) is N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2cn(C(C)=O)c3ccccc23)cc1.
What is the InChIKey of N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide?
The InChIKey is MPMIFWRVEZKSTB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(23)21-17-9-7-16(8-10-17)20-11-15-12-22(14(2)24)19-6-4-3-5-18(15)19/h3-12H,1-2H3,(H,21,23)/b20-11+.
What are the key properties of N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide?
N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 849604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).