N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide

C26H20IN3O2 — CID 4941925

IUPACN-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1I
InChIInChI=1S/C26H20IN3O2/c27-23-12-6-4-10-21(23)25(31)30-24-13-7-5-11-22(24)26(32)29-20-16-14-19(15-17-20)28-18-8-2-1-3-9-18/h1-17,28H,(H,29,32)(H,30,31)
InChIKeyCFSSPZUZOZPKTO-UHFFFAOYSA-N
MW533.37 g/mol
LogP6.54
Rot. Bonds6

About N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide

N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide (PubChem CID 4941925) has the molecular formula C26H20IN3O2 and a molecular weight of 533.37 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
PubChem CID4941925
Molecular FormulaC26H20IN3O2
Molecular Weight533.37 g/mol
Exact Mass533.06
IUPAC NameN-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1I
InChIInChI=1S/C26H20IN3O2/c27-23-12-6-4-10-21(23)25(31)30-24-13-7-5-11-22(24)26(32)29-20-16-14-19(15-17-20)28-18-8-2-1-3-9-18/h1-17,28H,(H,29,32)(H,30,31)
InChIKeyCFSSPZUZOZPKTO-UHFFFAOYSA-N
XLogP6.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.37
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
N-(4-anilinophenyl)-2-(ethylcarbamothioylamino)benzamide
CID 4942201
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide (CID 4941925) is N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1I.
What is the InChIKey of N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide?
The InChIKey is CFSSPZUZOZPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20IN3O2/c27-23-12-6-4-10-21(23)25(31)30-24-13-7-5-11-22(24)26(32)29-20-16-14-19(15-17-20)28-18-8-2-1-3-9-18/h1-17,28H,(H,29,32)(H,30,31).
What are the key properties of N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide?
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide has a molecular weight of 533.37 g/mol, XLogP of 6.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide is sourced from PubChem (CID 4941925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).