N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide

C26H22N4O2 — CID 139914016

IUPACN-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
SMILESO=C(NNc1ccccc1)c1ccc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N4O2/c31-25(19-7-3-1-4-8-19)28-23-17-15-22(16-18-23)27-21-13-11-20(12-14-21)26(32)30-29-24-9-5-2-6-10-24/h1-18,27,29H,(H,28,31)(H,30,32)
InChIKeyISWYMGCUKHHGOL-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.44
Rot. Bonds7

About N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide

N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide (PubChem CID 139914016) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
PubChem CID139914016
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
SMILESO=C(NNc1ccccc1)c1ccc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N4O2/c31-25(19-7-3-1-4-8-19)28-23-17-15-22(16-18-23)27-21-13-11-20(12-14-21)26(32)30-29-24-9-5-2-6-10-24/h1-18,27,29H,(H,28,31)(H,30,32)
InChIKeyISWYMGCUKHHGOL-UHFFFAOYSA-N
XLogP5.44
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
N-phenyl-3-[4-[[2-(trifluoromethyl)anilino]carbamoyl]anilino]benzamide
CID 139914006
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
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-tert-butylphenyl)benzohydrazide
CID 2813094

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide?
The IUPAC name of N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide (CID 139914016) is N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide is O=C(NNc1ccccc1)c1ccc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide?
The InChIKey is ISWYMGCUKHHGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(19-7-3-1-4-8-19)28-23-17-15-22(16-18-23)27-21-13-11-20(12-14-21)26(32)30-29-24-9-5-2-6-10-24/h1-18,27,29H,(H,28,31)(H,30,32).
What are the key properties of N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide?
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 5.44, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide is sourced from PubChem (CID 139914016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).