4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide

C20H17N5O2 — CID 142911150

IUPAC4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide
SMILES[H]/N=C(\N=N\N)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17N5O2/c21-19(24-25-22)14-6-8-15(9-7-14)20(26)23-16-10-12-18(13-11-16)27-17-4-2-1-3-5-17/h1-13H,(H,23,26)(H3,21,22,24)
InChIKeyYNRMMUNKRUQCSN-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.38
Rot. Bonds5

About 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide

4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide (PubChem CID 142911150) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide
PubChem CID142911150
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide
SMILES[H]/N=C(\N=N\N)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17N5O2/c21-19(24-25-22)14-6-8-15(9-7-14)20(26)23-16-10-12-18(13-11-16)27-17-4-2-1-3-5-17/h1-13H,(H,23,26)(H3,21,22,24)
InChIKeyYNRMMUNKRUQCSN-UHFFFAOYSA-N
XLogP4.38
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461

Frequently Asked Questions

What is the IUPAC name of 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide (CID 142911150) is 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide is [H]/N=C(\N=N\N)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is YNRMMUNKRUQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c21-19(24-25-22)14-6-8-15(9-7-14)20(26)23-16-10-12-18(13-11-16)27-17-4-2-1-3-5-17/h1-13H,(H,23,26)(H3,21,22,24).
What are the key properties of 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide?
4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-hydrazinylidenecarbamimidoyl)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 142911150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).