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

C30H31FN2O4 — CID 45181255

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N(Cc1ccc(OCc2cccc(F)c2)cc1)CC1CCCO1
InChIInChI=1S/C30H31FN2O4/c31-25-5-1-4-23(18-25)21-37-27-14-8-22(9-15-27)19-32(20-28-6-3-17-36-28)30(35)24-10-12-26(13-11-24)33-16-2-7-29(33)34/h1,4-5,8-15,18,28H,2-3,6-7,16-17,19-21H2
InChIKeyHIMJRMSAKLVZSM-UHFFFAOYSA-N
MW502.59 g/mol
LogP5.35
Rot. Bonds9

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

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 45181255) has the molecular formula C30H31FN2O4 and a molecular weight of 502.59 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID45181255
Molecular FormulaC30H31FN2O4
Molecular Weight502.59 g/mol
Exact Mass502.23
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N(Cc1ccc(OCc2cccc(F)c2)cc1)CC1CCCO1
InChIInChI=1S/C30H31FN2O4/c31-25-5-1-4-23(18-25)21-37-27-14-8-22(9-15-27)19-32(20-28-6-3-17-36-28)30(35)24-10-12-26(13-11-24)33-16-2-7-29(33)34/h1,4-5,8-15,18,28H,2-3,6-7,16-17,19-21H2
InChIKeyHIMJRMSAKLVZSM-UHFFFAOYSA-N
XLogP5.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42542215
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26342194
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42405441
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
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
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 45181255) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(c1ccc(N2CCCC2=O)cc1)N(Cc1ccc(OCc2cccc(F)c2)cc1)CC1CCCO1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HIMJRMSAKLVZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O4/c31-25-5-1-4-23(18-25)21-37-27-14-8-22(9-15-27)19-32(20-28-6-3-17-36-28)30(35)24-10-12-26(13-11-24)33-16-2-7-29(33)34/h1,4-5,8-15,18,28H,2-3,6-7,16-17,19-21H2.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 502.59 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 45181255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).