N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C19H19FN2O4 — CID 32645005

IUPACN-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)NCCCCOc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C19H19FN2O4/c20-14-4-6-15(7-5-14)25-10-2-1-9-21-19(24)13-3-8-16-17(11-13)26-12-18(23)22-16/h3-8,11H,1-2,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyTUJNSIWAHMNWJG-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.75
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 32645005) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID32645005
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)NCCCCOc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C19H19FN2O4/c20-14-4-6-15(7-5-14)25-10-2-1-9-21-19(24)13-3-8-16-17(11-13)26-12-18(23)22-16/h3-8,11H,1-2,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyTUJNSIWAHMNWJG-UHFFFAOYSA-N
XLogP2.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-4H-1,4-benzoxazine-7-carboxamide
CID 51078811
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzoxazine-7-carboxamide
CID 30483275
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27708277
(3R)-3-(4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 125147633
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115643325
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26960552
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39968289

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 32645005) is N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)NCCCCOc3ccc(F)cc3)ccc2N1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is TUJNSIWAHMNWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-14-4-6-15(7-5-14)25-10-2-1-9-21-19(24)13-3-8-16-17(11-13)26-12-18(23)22-16/h3-8,11H,1-2,9-10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 32645005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).