4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide

C19H21FN2O2 — CID 119342225

IUPAC4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
SMILESNCc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1
InChIInChI=1S/C19H21FN2O2/c20-17-3-1-2-16(12-17)19(8-10-24-11-9-19)22-18(23)15-6-4-14(13-21)5-7-15/h1-7,12H,8-11,13,21H2,(H,22,23)
InChIKeyBVLLUJNTAUCFII-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds4

About 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide

4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide (PubChem CID 119342225) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
PubChem CID119342225
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
SMILESNCc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1
InChIInChI=1S/C19H21FN2O2/c20-17-3-1-2-16(12-17)19(8-10-24-11-9-19)22-18(23)15-6-4-14(13-21)5-7-15/h1-7,12H,8-11,13,21H2,(H,22,23)
InChIKeyBVLLUJNTAUCFII-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
CID 119187111
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993748
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[4-(3-fluorophenyl)oxan-4-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 139005167
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide
CID 128517966

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide (CID 119342225) is 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide is NCc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide?
The InChIKey is BVLLUJNTAUCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-3-1-2-16(12-17)19(8-10-24-11-9-19)22-18(23)15-6-4-14(13-21)5-7-15/h1-7,12H,8-11,13,21H2,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide?
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide is sourced from PubChem (CID 119342225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).