2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide

C22H19IN2O2 — CID 98112407

IUPAC2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C22H19IN2O2/c1-15(16-8-3-2-4-9-16)24-22(27)19-12-5-6-13-20(19)25-21(26)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m0/s1
InChIKeyNWEOLGJXJDJEJQ-HNNXBMFYSA-N
MW470.31 g/mol
LogP5.03
Rot. Bonds5

About 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide

2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 98112407) has the molecular formula C22H19IN2O2 and a molecular weight of 470.31 g/mol. Its IUPAC name is 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID98112407
Molecular FormulaC22H19IN2O2
Molecular Weight470.31 g/mol
Exact Mass470.05
IUPAC Name2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C22H19IN2O2/c1-15(16-8-3-2-4-9-16)24-22(27)19-12-5-6-13-20(19)25-21(26)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m0/s1
InChIKeyNWEOLGJXJDJEJQ-HNNXBMFYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.31
LogP ≤ 55.03
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-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7758774
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935158
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide (CID 98112407) is 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(I)c1)c1ccccc1.
What is the InChIKey of 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is NWEOLGJXJDJEJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19IN2O2/c1-15(16-8-3-2-4-9-16)24-22(27)19-12-5-6-13-20(19)25-21(26)17-10-7-11-18(23)14-17/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m0/s1.
What are the key properties of 2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 470.31 g/mol, XLogP of 5.03, 5 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-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 98112407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).