N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide

C43H33N3O — CID 101475849

IUPACN-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
SMILESC[C@H](c1ccccc1)N(C(=O)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C43H33N3O/c1-31(32-5-3-2-4-6-32)46(42-21-19-38(20-22-42)34-9-13-37(14-10-34)40-25-29-45-30-26-40)43(47)41-17-15-35(16-18-41)33-7-11-36(12-8-33)39-23-27-44-28-24-39/h2-31H,1H3/t31-/m1/s1
InChIKeyPSYAVHFECSDTRW-WJOKGBTCSA-N
MW607.76 g/mol
LogP10.55
Rot. Bonds8

About N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide

N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide (PubChem CID 101475849) has the molecular formula C43H33N3O and a molecular weight of 607.76 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
PubChem CID101475849
Molecular FormulaC43H33N3O
Molecular Weight607.76 g/mol
Exact Mass607.26
IUPAC NameN-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
SMILESC[C@H](c1ccccc1)N(C(=O)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C43H33N3O/c1-31(32-5-3-2-4-6-32)46(42-21-19-38(20-22-42)34-9-13-37(14-10-34)40-25-29-45-30-26-40)43(47)41-17-15-35(16-18-41)33-7-11-36(12-8-33)39-23-27-44-28-24-39/h2-31H,1H3/t31-/m1/s1
InChIKeyPSYAVHFECSDTRW-WJOKGBTCSA-N
XLogP10.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide with MolForge

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Related Compounds

N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
CID 162689999
1-N,4-N-bis[(1R)-1-phenylethyl]-1-N,4-N-bis[4-(2-phenylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 101376470
N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 11042850
N-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide
CID 87974720
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 43833720
4-[4-[(Z)-1,2-diphenyl-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 172894351
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide (CID 101475849) is N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide is C[C@H](c1ccccc1)N(C(=O)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide?
The InChIKey is PSYAVHFECSDTRW-WJOKGBTCSA-N. The full InChI is InChI=1S/C43H33N3O/c1-31(32-5-3-2-4-6-32)46(42-21-19-38(20-22-42)34-9-13-37(14-10-34)40-25-29-45-30-26-40)43(47)41-17-15-35(16-18-41)33-7-11-36(12-8-33)39-23-27-44-28-24-39/h2-31H,1H3/t31-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide?
N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide has a molecular weight of 607.76 g/mol, XLogP of 10.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide is sourced from PubChem (CID 101475849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).