(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide

C19H21FN2O2 — CID 170159066

IUPAC(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccc(NCc2ccc(F)cc2)cc1)[C@@H]1CCOC1
InChIInChI=1S/C19H21FN2O2/c20-17-5-1-14(2-6-17)11-21-18-7-3-15(4-8-18)12-22-19(23)16-9-10-24-13-16/h1-8,16,21H,9-13H2,(H,22,23)/t16-/m1/s1
InChIKeyLHIHCXZZAXJLNZ-MRXNPFEDSA-N
MW328.39 g/mol
LogP3.09
Rot. Bonds6

About (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide

(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide (PubChem CID 170159066) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide
PubChem CID170159066
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccc(NCc2ccc(F)cc2)cc1)[C@@H]1CCOC1
InChIInChI=1S/C19H21FN2O2/c20-17-5-1-14(2-6-17)11-21-18-7-3-15(4-8-18)12-22-19(23)16-9-10-24-13-16/h1-8,16,21H,9-13H2,(H,22,23)/t16-/m1/s1
InChIKeyLHIHCXZZAXJLNZ-MRXNPFEDSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 70845448
(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
CID 95146364
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide (CID 170159066) is (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide is O=C(NCc1ccc(NCc2ccc(F)cc2)cc1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is LHIHCXZZAXJLNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-5-1-14(2-6-17)11-21-18-7-3-15(4-8-18)12-22-19(23)16-9-10-24-13-16/h1-8,16,21H,9-13H2,(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 170159066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).