N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide

C30H31FN2O3 — CID 26396690

IUPACN-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESO=C1NCCCC[C@@H]1N(Cc1ccc(OC2Cc3ccccc3C2)cc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C30H31FN2O3/c31-25-12-8-21(9-13-25)17-29(34)33(28-7-3-4-16-32-30(28)35)20-22-10-14-26(15-11-22)36-27-18-23-5-1-2-6-24(23)19-27/h1-2,5-6,8-15,27-28H,3-4,7,16-20H2,(H,32,35)/t28-/m0/s1
InChIKeyGXXPKVBGVJEGHM-NDEPHWFRSA-N
MW486.59 g/mol
LogP4.61
Rot. Bonds7

About N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide

N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 26396690) has the molecular formula C30H31FN2O3 and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID26396690
Molecular FormulaC30H31FN2O3
Molecular Weight486.59 g/mol
Exact Mass486.23
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESO=C1NCCCC[C@@H]1N(Cc1ccc(OC2Cc3ccccc3C2)cc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C30H31FN2O3/c31-25-12-8-21(9-13-25)17-29(34)33(28-7-3-4-16-32-30(28)35)20-22-10-14-26(15-11-22)36-27-18-23-5-1-2-6-24(23)19-27/h1-2,5-6,8-15,27-28H,3-4,7,16-20H2,(H,32,35)/t28-/m0/s1
InChIKeyGXXPKVBGVJEGHM-NDEPHWFRSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25325962
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 91939938
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-pyrazol-1-ylbenzamide
CID 26276882
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)benzamide
CID 42699399
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
N-[(4-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)dodecanamide
CID 42699388
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
3-fluoro-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 42484368
3-(3-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 26402336
2-(4-fluorophenyl)-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 26336442
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-2-yl)acetamide
CID 91318413

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 26396690) is N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide is O=C1NCCCC[C@@H]1N(Cc1ccc(OC2Cc3ccccc3C2)cc1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is GXXPKVBGVJEGHM-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H31FN2O3/c31-25-12-8-21(9-13-25)17-29(34)33(28-7-3-4-16-32-30(28)35)20-22-10-14-26(15-11-22)36-27-18-23-5-1-2-6-24(23)19-27/h1-2,5-6,8-15,27-28H,3-4,7,16-20H2,(H,32,35)/t28-/m0/s1.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 26396690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).