(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide

C19H17N3O4 — CID 95796044

IUPAC(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCCOc1ccc(C(=O)N/N=c2/oc3ccccc3cc2C(N)=O)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-14-9-7-12(8-10-14)18(24)21-22-19-15(17(20)23)11-13-5-3-4-6-16(13)26-19/h3-11H,2H2,1H3,(H2,20,23)(H,21,24)/b22-19+
InChIKeyUDFPNLULORRLRG-ZBJSNUHESA-N
MW351.36 g/mol
LogP2.18
Rot. Bonds5

About (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide

(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 95796044) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID95796044
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCCOc1ccc(C(=O)N/N=c2/oc3ccccc3cc2C(N)=O)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-14-9-7-12(8-10-14)18(24)21-22-19-15(17(20)23)11-13-5-3-4-6-16(13)26-19/h3-11H,2H2,1H3,(H2,20,23)(H,21,24)/b22-19+
InChIKeyUDFPNLULORRLRG-ZBJSNUHESA-N
XLogP2.18
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3459938
N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95796047
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666
(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
CID 6279835
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3876523
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
CID 5201553
2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
CID 4133031
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 95796044) is (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide is CCOc1ccc(C(=O)N/N=c2/oc3ccccc3cc2C(N)=O)cc1.
What is the InChIKey of (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is UDFPNLULORRLRG-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-25-14-9-7-12(8-10-14)18(24)21-22-19-15(17(20)23)11-13-5-3-4-6-16(13)26-19/h3-11H,2H2,1H3,(H2,20,23)(H,21,24)/b22-19+.
What are the key properties of (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 95796044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).