N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

C19H22FN3O — CID 2356638

IUPACN-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCC(C)(C)c1ccc(C=NNC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O/c1-19(2,3)15-6-4-14(5-7-15)12-22-23-18(24)13-21-17-10-8-16(20)9-11-17/h4-12,21H,13H2,1-3H3,(H,23,24)
InChIKeyFOYPMJAOHHTKBO-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.69
Rot. Bonds5

About N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 2356638) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID2356638
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCC(C)(C)c1ccc(C=NNC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O/c1-19(2,3)15-6-4-14(5-7-15)12-22-23-18(24)13-21-17-10-8-16(20)9-11-17/h4-12,21H,13H2,1-3H3,(H,23,24)
InChIKeyFOYPMJAOHHTKBO-UHFFFAOYSA-N
XLogP3.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
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-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
2-(4-fluoroanilino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 770408
2-(4-fluoroanilino)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
CID 126361431
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (CID 2356638) is N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is CC(C)(C)c1ccc(C=NNC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is FOYPMJAOHHTKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-19(2,3)15-6-4-14(5-7-15)12-22-23-18(24)13-21-17-10-8-16(20)9-11-17/h4-12,21H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 327.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 2356638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).