N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide

C18H13ClFN3O — CID 1484920

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1ccccc1-n1cccc1
InChIInChI=1S/C18H13ClFN3O/c19-15-7-5-8-16(20)14(15)12-21-22-18(24)13-6-1-2-9-17(13)23-10-3-4-11-23/h1-12H,(H,22,24)
InChIKeyTXDKKKVSSBIOSX-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.03
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 1484920) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID1484920
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1ccccc1-n1cccc1
InChIInChI=1S/C18H13ClFN3O/c19-15-7-5-8-16(20)14(15)12-21-22-18(24)13-6-1-2-9-17(13)23-10-3-4-11-23/h1-12H,(H,22,24)
InChIKeyTXDKKKVSSBIOSX-UHFFFAOYSA-N
XLogP4.03
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
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'}

Analyze N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
[3-[[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3520322
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657919
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide (CID 1484920) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is O=C(NN=Cc1c(F)cccc1Cl)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is TXDKKKVSSBIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-15-7-5-8-16(20)14(15)12-21-22-18(24)13-6-1-2-9-17(13)23-10-3-4-11-23/h1-12H,(H,22,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 341.77 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 1484920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).