N-(4-anilinophenyl)-4-benzamidobenzamide

C26H21N3O2 — CID 52560314

IUPACN-(4-anilinophenyl)-4-benzamidobenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-25(19-7-3-1-4-8-19)28-23-13-11-20(12-14-23)26(31)29-24-17-15-22(16-18-24)27-21-9-5-2-6-10-21/h1-18,27H,(H,28,30)(H,29,31)
InChIKeyMBZLVDLWUDGAFY-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.93
Rot. Bonds6

About N-(4-anilinophenyl)-4-benzamidobenzamide

N-(4-anilinophenyl)-4-benzamidobenzamide (PubChem CID 52560314) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-benzamidobenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-benzamidobenzamide
PubChem CID52560314
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-(4-anilinophenyl)-4-benzamidobenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-25(19-7-3-1-4-8-19)28-23-13-11-20(12-14-23)26(31)29-24-17-15-22(16-18-24)27-21-9-5-2-6-10-21/h1-18,27H,(H,28,30)(H,29,31)
InChIKeyMBZLVDLWUDGAFY-UHFFFAOYSA-N
XLogP5.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
CID 139914016
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
3,5-dibenzamido-N-phenylbenzamide
CID 17340966

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-benzamidobenzamide?
The IUPAC name of N-(4-anilinophenyl)-4-benzamidobenzamide (CID 52560314) is N-(4-anilinophenyl)-4-benzamidobenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-benzamidobenzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-benzamidobenzamide is O=C(Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-(4-anilinophenyl)-4-benzamidobenzamide?
The InChIKey is MBZLVDLWUDGAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-25(19-7-3-1-4-8-19)28-23-13-11-20(12-14-23)26(31)29-24-17-15-22(16-18-24)27-21-9-5-2-6-10-21/h1-18,27H,(H,28,30)(H,29,31).
What are the key properties of N-(4-anilinophenyl)-4-benzamidobenzamide?
N-(4-anilinophenyl)-4-benzamidobenzamide has a molecular weight of 407.47 g/mol, XLogP of 5.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-benzamidobenzamide is sourced from PubChem (CID 52560314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).