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

C21H14F3IN2O2 — CID 4107878

IUPAC2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1
InChIInChI=1S/C21H14F3IN2O2/c22-21(23,24)14-6-4-8-16(12-14)26-20(29)17-9-1-2-10-18(17)27-19(28)13-5-3-7-15(25)11-13/h1-12H,(H,26,29)(H,27,28)
InChIKeyFCJVLUAWERJGMJ-UHFFFAOYSA-N
MW510.25 g/mol
LogP5.81
Rot. Bonds4

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

2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 4107878) has the molecular formula C21H14F3IN2O2 and a molecular weight of 510.25 g/mol. Its IUPAC name is 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID4107878
Molecular FormulaC21H14F3IN2O2
Molecular Weight510.25 g/mol
Exact Mass510.01
IUPAC Name2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1
InChIInChI=1S/C21H14F3IN2O2/c22-21(23,24)14-6-4-8-16(12-14)26-20(29)17-9-1-2-10-18(17)27-19(28)13-5-3-7-15(25)11-13/h1-12H,(H,26,29)(H,27,28)
InChIKeyFCJVLUAWERJGMJ-UHFFFAOYSA-N
XLogP5.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.25
LogP ≤ 55.81
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

2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
2-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54811786

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 4107878) is 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1.
What is the InChIKey of 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FCJVLUAWERJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3IN2O2/c22-21(23,24)14-6-4-8-16(12-14)26-20(29)17-9-1-2-10-18(17)27-19(28)13-5-3-7-15(25)11-13/h1-12H,(H,26,29)(H,27,28).
What are the key properties of 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 510.25 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4107878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).