3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide

C19H14N4O4 — CID 66615255

IUPAC3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(N)c2)ccc1O
InChIInChI=1S/C19H14N4O4/c20-10-13-8-12(4-5-16(13)24)18(25)22-23-19(26)17-15(6-7-27-17)11-2-1-3-14(21)9-11/h1-9,24H,21H2,(H,22,25)(H,23,26)
InChIKeyQXLUIXQEIAZWDZ-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.18
Rot. Bonds3

About 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide

3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide (PubChem CID 66615255) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
PubChem CID66615255
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(N)c2)ccc1O
InChIInChI=1S/C19H14N4O4/c20-10-13-8-12(4-5-16(13)24)18(25)22-23-19(26)17-15(6-7-27-17)11-2-1-3-14(21)9-11/h1-9,24H,21H2,(H,22,25)(H,23,26)
InChIKeyQXLUIXQEIAZWDZ-UHFFFAOYSA-N
XLogP2.18
TPSA141.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
CID 152628740
N'-(4-hydroxy-3-nitrobenzoyl)-3-(3-propan-2-ylphenyl)furan-2-carbohydrazide
CID 11690043
N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide
CID 68861297
3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
CID 68861944
N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
CID 11677505
N'-(3,4-dimethoxybenzoyl)-3-phenylfuran-2-carbohydrazide
CID 34977030
N'-(3-cyano-4-hydroxybenzoyl)-3-phenyl-4-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 68863403
[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate
CID 68865101
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
CID 68863410
N'-(4-hydroxy-3-nitrobenzoyl)-3-[4-[(4-methylphenoxy)methyl]phenyl]furan-2-carbohydrazide
CID 70805956
N-cyano-3-phenylfuran-2-carboxamide
CID 79194382
N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
CID 11539382

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide (CID 66615255) is 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(N)c2)ccc1O.
What is the InChIKey of 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
The InChIKey is QXLUIXQEIAZWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c20-10-13-8-12(4-5-16(13)24)18(25)22-23-19(26)17-15(6-7-27-17)11-2-1-3-14(21)9-11/h1-9,24H,21H2,(H,22,25)(H,23,26).
What are the key properties of 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide has a molecular weight of 362.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 66615255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).