2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide

C18H18FNO3 — CID 95984816

IUPAC2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@]1(O)CCOc2ccccc21
InChIInChI=1S/C18H18FNO3/c19-14-7-5-13(6-8-14)11-17(21)20-12-18(22)9-10-23-16-4-2-1-3-15(16)18/h1-8,22H,9-12H2,(H,20,21)/t18-/m1/s1
InChIKeyPKLNPVALYNHXAK-GOSISDBHSA-N
MW315.34 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide (PubChem CID 95984816) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
PubChem CID95984816
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@]1(O)CCOc2ccccc21
InChIInChI=1S/C18H18FNO3/c19-14-7-5-13(6-8-14)11-17(21)20-12-18(22)9-10-23-16-4-2-1-3-15(16)18/h1-8,22H,9-12H2,(H,20,21)/t18-/m1/s1
InChIKeyPKLNPVALYNHXAK-GOSISDBHSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730
3-(4-fluorophenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 71788927
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 95984909

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide (CID 95984816) is 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NC[C@]1(O)CCOc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide?
The InChIKey is PKLNPVALYNHXAK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-14-7-5-13(6-8-14)11-17(21)20-12-18(22)9-10-23-16-4-2-1-3-15(16)18/h1-8,22H,9-12H2,(H,20,21)/t18-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide is sourced from PubChem (CID 95984816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).