[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate

C23H27F2N3O3 — CID 20872681

IUPAC[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate
SMILESCCCCCCCCC(=O)Nc1ccc(NC(=O)O/N=C/c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H27F2N3O3/c1-2-3-4-5-6-7-8-22(29)27-19-11-13-20(14-12-19)28-23(30)31-26-16-17-9-10-18(24)15-21(17)25/h9-16H,2-8H2,1H3,(H,27,29)(H,28,30)/b26-16+
InChIKeyCIKGHCCGRQRCDM-WGOQTCKBSA-N
MW431.48 g/mol
LogP6.24
Rot. Bonds11

About [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate

[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate (PubChem CID 20872681) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate.

Molecular Properties

Compound Name[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate
PubChem CID20872681
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate
SMILESCCCCCCCCC(=O)Nc1ccc(NC(=O)O/N=C/c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H27F2N3O3/c1-2-3-4-5-6-7-8-22(29)27-19-11-13-20(14-12-19)28-23(30)31-26-16-17-9-10-18(24)15-21(17)25/h9-16H,2-8H2,1H3,(H,27,29)(H,28,30)/b26-16+
InChIKeyCIKGHCCGRQRCDM-WGOQTCKBSA-N
XLogP6.24
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.48
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-phenylheptatetracontanamide
CID 150503307

Frequently Asked Questions

What is the IUPAC name of [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate?
The IUPAC name of [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate (CID 20872681) is [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate.
What is the SMILES notation for [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate?
The canonical SMILES for [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate is CCCCCCCCC(=O)Nc1ccc(NC(=O)O/N=C/c2ccc(F)cc2F)cc1.
What is the InChIKey of [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate?
The InChIKey is CIKGHCCGRQRCDM-WGOQTCKBSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-2-3-4-5-6-7-8-22(29)27-19-11-13-20(14-12-19)28-23(30)31-26-16-17-9-10-18(24)15-21(17)25/h9-16H,2-8H2,1H3,(H,27,29)(H,28,30)/b26-16+.
What are the key properties of [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate?
[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate has a molecular weight of 431.48 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate is sourced from PubChem (CID 20872681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).