N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide

C22H18FN3O2 — CID 24789427

IUPACN-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3F)c2)cc1
InChIInChI=1S/C22H18FN3O2/c1-15-9-11-16(12-10-15)21(27)25-19-7-4-6-17(13-19)22(28)26-24-14-18-5-2-3-8-20(18)23/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyFEDMVHJUWCOIHJ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.15
Rot. Bonds5

About N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide

N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 24789427) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID24789427
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3F)c2)cc1
InChIInChI=1S/C22H18FN3O2/c1-15-9-11-16(12-10-15)21(27)25-19-7-4-6-17(13-19)22(28)26-24-14-18-5-2-3-8-20(18)23/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyFEDMVHJUWCOIHJ-UHFFFAOYSA-N
XLogP4.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.15
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

3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
2-chloro-N-[3-[[(E)-(2-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496124
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126226558
[2-[[[3-[(4-bromobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126232158
3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46496179
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126230149
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
[2-[[[3-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126228407
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126231372
3-[[(2-fluorophenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 5063629

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide (CID 24789427) is N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3F)c2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is FEDMVHJUWCOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-15-9-11-16(12-10-15)21(27)25-19-7-4-6-17(13-19)22(28)26-24-14-18-5-2-3-8-20(18)23/h2-14H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 375.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 24789427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).