2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide

C17H17FN4O2 — CID 4052582

IUPAC2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)CNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN4O2/c1-12-2-4-13(5-3-12)10-20-22-16(23)11-19-17(24)21-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,22,23)(H2,19,21,24)
InChIKeyAKNUOIWQOIVLKE-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide

2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide (PubChem CID 4052582) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide
PubChem CID4052582
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)CNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN4O2/c1-12-2-4-13(5-3-12)10-20-22-16(23)11-19-17(24)21-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,22,23)(H2,19,21,24)
InChIKeyAKNUOIWQOIVLKE-UHFFFAOYSA-N
XLogP2.41
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 6027564
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136672598
N-(4-fluorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 4218868
methyl 4-[(Z)-[[4-(4-fluoroanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 6300359
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide (CID 4052582) is 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide is Cc1ccc(C=NNC(=O)CNC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is AKNUOIWQOIVLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-12-2-4-13(5-3-12)10-20-22-16(23)11-19-17(24)21-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,22,23)(H2,19,21,24).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide?
2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 328.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4052582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).