2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C25H24FNO2 — CID 42627878

IUPAC2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1
InChIInChI=1S/C25H24FNO2/c26-21-13-10-18(11-14-21)16-24(28)27-25-22-9-5-4-8-20(22)12-15-23(25)29-17-19-6-2-1-3-7-19/h1-11,13-14,23,25H,12,15-17H2,(H,27,28)/t23-,25-/m1/s1
InChIKeyPCQNPYHBHVZGBL-ILBGXUMGSA-N
MW389.47 g/mol
LogP4.76
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 42627878) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID42627878
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1
InChIInChI=1S/C25H24FNO2/c26-21-13-10-18(11-14-21)16-24(28)27-25-22-9-5-4-8-20(22)12-15-23(25)29-17-19-6-2-1-3-7-19/h1-11,13-14,23,25H,12,15-17H2,(H,27,28)/t23-,25-/m1/s1
InChIKeyPCQNPYHBHVZGBL-ILBGXUMGSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627884
3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627885
N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide
CID 42627890
2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627892
2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627875
2-methyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627893
2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627886
2-phenylmethoxy-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627887
2-phenyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627899
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-fluorobenzamide
CID 2953253
1-(Dimethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl benzoate--hydrogen chloride (1/1)
CID 52587
2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627854

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 42627878) is 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is PCQNPYHBHVZGBL-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H24FNO2/c26-21-13-10-18(11-14-21)16-24(28)27-25-22-9-5-4-8-20(22)12-15-23(25)29-17-19-6-2-1-3-7-19/h1-11,13-14,23,25H,12,15-17H2,(H,27,28)/t23-,25-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 42627878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).