N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide

C18H16N4O3 — CID 5035642

IUPACN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
SMILESNC(=O)Cn1cc(C=NNC(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C18H16N4O3/c19-17(24)11-22-10-13(15-6-1-2-7-16(15)22)9-20-21-18(25)12-4-3-5-14(23)8-12/h1-10,23H,11H2,(H2,19,24)(H,21,25)
InChIKeyVHFABRUZXQVHQM-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.60
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide (PubChem CID 5035642) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
PubChem CID5035642
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
SMILESNC(=O)Cn1cc(C=NNC(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C18H16N4O3/c19-17(24)11-22-10-13(15-6-1-2-7-16(15)22)9-20-21-18(25)12-4-3-5-14(23)8-12/h1-10,23H,11H2,(H2,19,24)(H,21,25)
InChIKeyVHFABRUZXQVHQM-UHFFFAOYSA-N
XLogP1.60
TPSA109.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 3342706
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 3429535
3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 17126770
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
CID 967738
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide (CID 5035642) is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide is NC(=O)Cn1cc(C=NNC(=O)c2cccc(O)c2)c2ccccc21.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide?
The InChIKey is VHFABRUZXQVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-17(24)11-22-10-13(15-6-1-2-7-16(15)22)9-20-21-18(25)12-4-3-5-14(23)8-12/h1-10,23H,11H2,(H2,19,24)(H,21,25).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide?
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide has a molecular weight of 336.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 5035642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).