2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide

C20H23FN2O2 — CID 96516187

IUPAC2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)NC1CCOCC1
InChIInChI=1S/C20H23FN2O2/c21-17-8-6-16(7-9-17)20(15-4-2-1-3-5-15)22-14-19(24)23-18-10-12-25-13-11-18/h1-9,18,20,22H,10-14H2,(H,23,24)/t20-/m1/s1
InChIKeyQKCHEOQRNWTSJI-HXUWFJFHSA-N
MW342.41 g/mol
LogP2.80
Rot. Bonds6

About 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide

2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide (PubChem CID 96516187) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
PubChem CID96516187
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)NC1CCOCC1
InChIInChI=1S/C20H23FN2O2/c21-17-8-6-16(7-9-17)20(15-4-2-1-3-5-15)22-14-19(24)23-18-10-12-25-13-11-18/h1-9,18,20,22H,10-14H2,(H,23,24)/t20-/m1/s1
InChIKeyQKCHEOQRNWTSJI-HXUWFJFHSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
CID 55896839
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
2-[1-(4-methoxyphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 66244703
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide (CID 96516187) is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide is O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)NC1CCOCC1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide?
The InChIKey is QKCHEOQRNWTSJI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-8-6-16(7-9-17)20(15-4-2-1-3-5-15)22-14-19(24)23-18-10-12-25-13-11-18/h1-9,18,20,22H,10-14H2,(H,23,24)/t20-/m1/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide?
2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 96516187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).