N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide

C16H14FN3O3 — CID 96885337

IUPACN-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
SMILESNC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FN3O3/c17-13-5-3-12(4-6-13)16(22)20-19-9-11-1-7-14(8-2-11)23-10-15(18)21/h1-9H,10H2,(H2,18,21)(H,20,22)/b19-9+
InChIKeyDHSWRPZDLPQKIB-DJKKODMXSA-N
MW315.30 g/mol
LogP1.45
Rot. Bonds6

About N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide

N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide (PubChem CID 96885337) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
PubChem CID96885337
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC NameN-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
SMILESNC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FN3O3/c17-13-5-3-12(4-6-13)16(22)20-19-9-11-1-7-14(8-2-11)23-10-15(18)21/h1-9H,10H2,(H2,18,21)(H,20,22)/b19-9+
InChIKeyDHSWRPZDLPQKIB-DJKKODMXSA-N
XLogP1.45
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 6064390
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 6966568
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide (CID 96885337) is N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide is NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide?
The InChIKey is DHSWRPZDLPQKIB-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14FN3O3/c17-13-5-3-12(4-6-13)16(22)20-19-9-11-1-7-14(8-2-11)23-10-15(18)21/h1-9H,10H2,(H2,18,21)(H,20,22)/b19-9+.
What are the key properties of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide?
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide has a molecular weight of 315.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 96885337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).