N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide

C21H15ClF2N2O — CID 134094152

IUPACN-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide
SMILESC/C(=N\c1ccc(Cl)cc1)c1cc(F)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H15ClF2N2O/c1-13(25-18-9-4-15(22)5-10-18)19-12-17(24)8-11-20(19)26-21(27)14-2-6-16(23)7-3-14/h2-12H,1H3,(H,26,27)/b25-13+
InChIKeyUOWDSGUJZKUYOO-DHRITJCHSA-N
MW384.81 g/mol
LogP6.01
Rot. Bonds4

About N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide

N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide (PubChem CID 134094152) has the molecular formula C21H15ClF2N2O and a molecular weight of 384.81 g/mol. Its IUPAC name is N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide
PubChem CID134094152
Molecular FormulaC21H15ClF2N2O
Molecular Weight384.81 g/mol
Exact Mass384.08
IUPAC NameN-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide
SMILESC/C(=N\c1ccc(Cl)cc1)c1cc(F)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H15ClF2N2O/c1-13(25-18-9-4-15(22)5-10-18)19-12-17(24)8-11-20(19)26-21(27)14-2-6-16(23)7-3-14/h2-12H,1H3,(H,26,27)/b25-13+
InChIKeyUOWDSGUJZKUYOO-DHRITJCHSA-N
XLogP6.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.81
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
CID 66575367
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide (CID 134094152) is N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide is C/C(=N\c1ccc(Cl)cc1)c1cc(F)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide?
The InChIKey is UOWDSGUJZKUYOO-DHRITJCHSA-N. The full InChI is InChI=1S/C21H15ClF2N2O/c1-13(25-18-9-4-15(22)5-10-18)19-12-17(24)8-11-20(19)26-21(27)14-2-6-16(23)7-3-14/h2-12H,1H3,(H,26,27)/b25-13+.
What are the key properties of N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide?
N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide has a molecular weight of 384.81 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide is sourced from PubChem (CID 134094152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).