N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide

C19H21FN2O3 — CID 119419472

IUPACN-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1N
InChIInChI=1S/C19H21FN2O3/c1-24-17-6-5-15(12-16(17)21)22-18(23)19(7-9-25-10-8-19)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10,21H2,1H3,(H,22,23)
InChIKeyLBFZKQRQDDJDLZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.10
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide

N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide (PubChem CID 119419472) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
PubChem CID119419472
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1N
InChIInChI=1S/C19H21FN2O3/c1-24-17-6-5-15(12-16(17)21)22-18(23)19(7-9-25-10-8-19)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10,21H2,1H3,(H,22,23)
InChIKeyLBFZKQRQDDJDLZ-UHFFFAOYSA-N
XLogP3.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
CID 51125644
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide (CID 119419472) is N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide is COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide?
The InChIKey is LBFZKQRQDDJDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-17-6-5-15(12-16(17)21)22-18(23)19(7-9-25-10-8-19)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10,21H2,1H3,(H,22,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide?
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 119419472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).