1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione

C18H14ClFN2O2 — CID 716965

IUPAC1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H14ClFN2O2/c19-15-16(21-10-12-6-8-14(20)9-7-12)18(24)22(17(15)23)11-13-4-2-1-3-5-13/h1-9,21H,10-11H2
InChIKeyFOISNKMTJHYNCE-UHFFFAOYSA-N
MW344.77 g/mol
LogP2.93
Rot. Bonds5

About 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione

1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione (PubChem CID 716965) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione
PubChem CID716965
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H14ClFN2O2/c19-15-16(21-10-12-6-8-14(20)9-7-12)18(24)22(17(15)23)11-13-4-2-1-3-5-13/h1-9,21H,10-11H2
InChIKeyFOISNKMTJHYNCE-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
CID 1408092
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-ethyl-N-phenylbenzamide
CID 1408090
3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-fluorophenyl)benzamide
CID 1194865
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
4-[[[4-[[[4-chloro-1-[(2-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 1408319
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1408149
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599440
3-chloro-1-[(4-chlorophenyl)methyl]-4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
CID 1408248
3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
CID 2791448

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione (CID 716965) is 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione is O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione?
The InChIKey is FOISNKMTJHYNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c19-15-16(21-10-12-6-8-14(20)9-7-12)18(24)22(17(15)23)11-13-4-2-1-3-5-13/h1-9,21H,10-11H2.
What are the key properties of 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione?
1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione has a molecular weight of 344.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione is sourced from PubChem (CID 716965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).