(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid

C19H17N3O5 — CID 126381851

IUPAC(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc2)cc1
InChIInChI=1S/C19H17N3O5/c1-12-2-4-13(5-3-12)18(26)20-15-8-6-14(7-9-15)19(27)22-21-16(23)10-11-17(24)25/h2-11H,1H3,(H,20,26)(H,21,23)(H,22,27)(H,24,25)/b11-10-
InChIKeyHHGCSJQUULUDAQ-KHPPLWFESA-N
MW367.36 g/mol
LogP1.65
Rot. Bonds5

About (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid

(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid (PubChem CID 126381851) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid
PubChem CID126381851
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc2)cc1
InChIInChI=1S/C19H17N3O5/c1-12-2-4-13(5-3-12)18(26)20-15-8-6-14(7-9-15)19(27)22-21-16(23)10-11-17(24)25/h2-11H,1H3,(H,20,26)(H,21,23)(H,22,27)(H,24,25)/b11-10-
InChIKeyHHGCSJQUULUDAQ-KHPPLWFESA-N
XLogP1.65
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid
CID 3374526
(Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 18870973
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
(2S,3R)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoic acid
CID 126383590
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
4-[4-(tert-butylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 53407470
(E)-4-[4-(ethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17234256
N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide
CID 73389334

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid (CID 126381851) is (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc2)cc1.
What is the InChIKey of (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid?
The InChIKey is HHGCSJQUULUDAQ-KHPPLWFESA-N. The full InChI is InChI=1S/C19H17N3O5/c1-12-2-4-13(5-3-12)18(26)20-15-8-6-14(7-9-15)19(27)22-21-16(23)10-11-17(24)25/h2-11H,1H3,(H,20,26)(H,21,23)(H,22,27)(H,24,25)/b11-10-.
What are the key properties of (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid?
(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid has a molecular weight of 367.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 126381851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).