N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C31H33FN2O4 — CID 26342194

IUPACN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C31H33FN2O4/c32-29-10-2-1-7-24(29)16-19-38-27-8-3-6-23(20-27)21-33(22-28-9-5-18-37-28)31(36)25-12-14-26(15-13-25)34-17-4-11-30(34)35/h1-3,6-8,10,12-15,20,28H,4-5,9,11,16-19,21-22H2/t28-/m0/s1
InChIKeySZWKLGFCWMVOGV-NDEPHWFRSA-N
MW516.61 g/mol
LogP5.40
Rot. Bonds10

About N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26342194) has the molecular formula C31H33FN2O4 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26342194
Molecular FormulaC31H33FN2O4
Molecular Weight516.61 g/mol
Exact Mass516.24
IUPAC NameN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C31H33FN2O4/c32-29-10-2-1-7-24(29)16-19-38-27-8-3-6-23(20-27)21-33(22-28-9-5-18-37-28)31(36)25-12-14-26(15-13-25)34-17-4-11-30(34)35/h1-3,6-8,10,12-15,20,28H,4-5,9,11,16-19,21-22H2/t28-/m0/s1
InChIKeySZWKLGFCWMVOGV-NDEPHWFRSA-N
XLogP5.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42428933
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45220485
2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42238955
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45181255
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45228794
3-(3,5-dimethylpyrazol-1-yl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45248080
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
4-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42448796
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 26342194) is N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(c1ccc(N2CCCC2=O)cc1)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SZWKLGFCWMVOGV-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H33FN2O4/c32-29-10-2-1-7-24(29)16-19-38-27-8-3-6-23(20-27)21-33(22-28-9-5-18-37-28)31(36)25-12-14-26(15-13-25)34-17-4-11-30(34)35/h1-3,6-8,10,12-15,20,28H,4-5,9,11,16-19,21-22H2/t28-/m0/s1.
What are the key properties of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 516.61 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26342194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).