methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate

C25H19NO4 — CID 175731652

IUPACmethyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2)o1
InChIInChI=1S/C25H19NO4/c1-29-25(28)23-16-15-22(30-23)19-7-9-20(10-8-19)24(27)26-21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-16H,1H3,(H,26,27)
InChIKeyUGUYBGKYJUDTHJ-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.65
Rot. Bonds5

About methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate

methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate (PubChem CID 175731652) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
PubChem CID175731652
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Namemethyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2)o1
InChIInChI=1S/C25H19NO4/c1-29-25(28)23-16-15-22(30-23)19-7-9-20(10-8-19)24(27)26-21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-16H,1H3,(H,26,27)
InChIKeyUGUYBGKYJUDTHJ-UHFFFAOYSA-N
XLogP5.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
methyl 5-[4-[(2-sulfanylacetyl)amino]phenyl]furan-2-carboxylate
CID 25257380
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 23967867
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
CID 69466458
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate (CID 175731652) is methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate is COC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2)o1.
What is the InChIKey of methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate?
The InChIKey is UGUYBGKYJUDTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-29-25(28)23-16-15-22(30-23)19-7-9-20(10-8-19)24(27)26-21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-16H,1H3,(H,26,27).
What are the key properties of methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate?
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate is sourced from PubChem (CID 175731652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).