N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H15FN2O2 — CID 43123311

IUPACN-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CNc2ccccc2O1
InChIInChI=1S/C16H15FN2O2/c17-12-5-3-4-11(8-12)9-19-16(20)15-10-18-13-6-1-2-7-14(13)21-15/h1-8,15,18H,9-10H2,(H,19,20)
InChIKeyDRGIEYJKKFAZHQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.32
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 43123311) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID43123311
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CNc2ccccc2O1
InChIInChI=1S/C16H15FN2O2/c17-12-5-3-4-11(8-12)9-19-16(20)15-10-18-13-6-1-2-7-14(13)21-15/h1-8,15,18H,9-10H2,(H,19,20)
InChIKeyDRGIEYJKKFAZHQ-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2-(3-fluorophenyl)ethanone
CID 116550173
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53282988
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24706737
N-[(1-methylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106416776
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 63823743
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106247663
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106147903
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 43123311) is N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(NCc1cccc(F)c1)C1CNc2ccccc2O1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is DRGIEYJKKFAZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-5-3-4-11(8-12)9-19-16(20)15-10-18-13-6-1-2-7-14(13)21-15/h1-8,15,18H,9-10H2,(H,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43123311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).