2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide

C20H14ClIN2O2 — CID 1097784

IUPAC2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(I)c1
InChIInChI=1S/C20H14ClIN2O2/c21-18-10-2-1-9-17(18)20(26)24-16-8-4-7-15(12-16)23-19(25)13-5-3-6-14(22)11-13/h1-12H,(H,23,25)(H,24,26)
InChIKeyHXUXXNMYNKKSRA-UHFFFAOYSA-N
MW476.70 g/mol
LogP5.45
Rot. Bonds4

About 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide

2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide (PubChem CID 1097784) has the molecular formula C20H14ClIN2O2 and a molecular weight of 476.70 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
PubChem CID1097784
Molecular FormulaC20H14ClIN2O2
Molecular Weight476.70 g/mol
Exact Mass475.98
IUPAC Name2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(I)c1
InChIInChI=1S/C20H14ClIN2O2/c21-18-10-2-1-9-17(18)20(26)24-16-8-4-7-15(12-16)23-19(25)13-5-3-6-14(22)11-13/h1-12H,(H,23,25)(H,24,26)
InChIKeyHXUXXNMYNKKSRA-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 55.45
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

N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide
CID 1333423
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide (CID 1097784) is 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide is O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(I)c1.
What is the InChIKey of 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide?
The InChIKey is HXUXXNMYNKKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClIN2O2/c21-18-10-2-1-9-17(18)20(26)24-16-8-4-7-15(12-16)23-19(25)13-5-3-6-14(22)11-13/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide?
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide has a molecular weight of 476.70 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 1097784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).