4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide

C20H14I2N2O2 — CID 4105689

IUPAC4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(I)cc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C20H14I2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H,(H,23,25)(H,24,26)
InChIKeyTWDJZTAYAWTESD-UHFFFAOYSA-N
MW568.15 g/mol
LogP5.40
Rot. Bonds4

About 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide

4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide (PubChem CID 4105689) has the molecular formula C20H14I2N2O2 and a molecular weight of 568.15 g/mol. Its IUPAC name is 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
PubChem CID4105689
Molecular FormulaC20H14I2N2O2
Molecular Weight568.15 g/mol
Exact Mass567.91
IUPAC Name4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(I)cc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C20H14I2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H,(H,23,25)(H,24,26)
InChIKeyTWDJZTAYAWTESD-UHFFFAOYSA-N
XLogP5.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.15
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
(E)-3-[4-[(4-iodobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411611
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
CID 121062019
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide (CID 4105689) is 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide is O=C(Nc1ccc(NC(=O)c2ccc(I)cc2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide?
The InChIKey is TWDJZTAYAWTESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14I2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide?
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide has a molecular weight of 568.15 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 4105689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).