5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide

C43H47FN2O4 — CID 46917351

IUPAC5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)OC1C[C@H](OCc2ccccc2)C[C@@H](CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)O1
InChIInChI=1S/C43H47FN2O4/c1-29(2)41-40(43(47)45-35-18-12-7-13-19-35)39(32-16-10-6-11-17-32)42(33-20-22-34(44)23-21-33)46(41)25-24-36-26-37(27-38(50-36)49-30(3)4)48-28-31-14-8-5-9-15-31/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,45,47)/t36-,37-,38?/m1/s1
InChIKeyNWLKHHPNBMCPNS-QCUZFKLTSA-N
MW674.86 g/mol
LogP10.24
Rot. Bonds13

About 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide

5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 46917351) has the molecular formula C43H47FN2O4 and a molecular weight of 674.86 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide
PubChem CID46917351
Molecular FormulaC43H47FN2O4
Molecular Weight674.86 g/mol
Exact Mass674.35
IUPAC Name5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)OC1C[C@H](OCc2ccccc2)C[C@@H](CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)O1
InChIInChI=1S/C43H47FN2O4/c1-29(2)41-40(43(47)45-35-18-12-7-13-19-35)39(32-16-10-6-11-17-32)42(33-20-22-34(44)23-21-33)46(41)25-24-36-26-37(27-38(50-36)49-30(3)4)48-28-31-14-8-5-9-15-31/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,45,47)/t36-,37-,38?/m1/s1
InChIKeyNWLKHHPNBMCPNS-QCUZFKLTSA-N
XLogP10.24
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.86
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide (CID 46917351) is 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide is CC(C)OC1C[C@H](OCc2ccccc2)C[C@@H](CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)O1.
What is the InChIKey of 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is NWLKHHPNBMCPNS-QCUZFKLTSA-N. The full InChI is InChI=1S/C43H47FN2O4/c1-29(2)41-40(43(47)45-35-18-12-7-13-19-35)39(32-16-10-6-11-17-32)42(33-20-22-34(44)23-21-33)46(41)25-24-36-26-37(27-38(50-36)49-30(3)4)48-28-31-14-8-5-9-15-31/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,45,47)/t36-,37-,38?/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide?
5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 674.86 g/mol, XLogP of 10.24, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-propan-2-yloxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 46917351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).