N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide

C19H20FN3O2 — CID 4981206

IUPACN-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NN=Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H20FN3O2/c1-2-3-7-18(24)22-17-10-8-15(9-11-17)19(25)23-21-13-14-5-4-6-16(20)12-14/h4-6,8-13H,2-3,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyKMJNNIDNGVTPRA-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.72
Rot. Bonds7

About N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide

N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide (PubChem CID 4981206) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide
PubChem CID4981206
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NN=Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H20FN3O2/c1-2-3-7-18(24)22-17-10-8-15(9-11-17)19(25)23-21-13-14-5-4-6-16(20)12-14/h4-6,8-13H,2-3,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyKMJNNIDNGVTPRA-UHFFFAOYSA-N
XLogP3.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.72
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

N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4980442
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 45109011
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide (CID 4981206) is N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)NN=Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide?
The InChIKey is KMJNNIDNGVTPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-3-7-18(24)22-17-10-8-15(9-11-17)19(25)23-21-13-14-5-4-6-16(20)12-14/h4-6,8-13H,2-3,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide?
N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 4981206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).