N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C19H22IN3O2 — CID 54812623

IUPACN-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CNc2ccc(I)cc2)c1
InChIInChI=1S/C19H22IN3O2/c1-19(2,3)18(25)23-16-6-4-5-15(11-16)22-17(24)12-21-14-9-7-13(20)8-10-14/h4-11,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVDNRIMXGOMBCDJ-UHFFFAOYSA-N
MW451.31 g/mol
LogP4.33
Rot. Bonds5

About N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 54812623) has the molecular formula C19H22IN3O2 and a molecular weight of 451.31 g/mol. Its IUPAC name is N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID54812623
Molecular FormulaC19H22IN3O2
Molecular Weight451.31 g/mol
Exact Mass451.08
IUPAC NameN-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CNc2ccc(I)cc2)c1
InChIInChI=1S/C19H22IN3O2/c1-19(2,3)18(25)23-16-6-4-5-15(11-16)22-17(24)12-21-14-9-7-13(20)8-10-14/h4-11,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVDNRIMXGOMBCDJ-UHFFFAOYSA-N
XLogP4.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 54.33
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

N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
CID 54812294
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835985
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812945
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54819617

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 54812623) is N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)CNc2ccc(I)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is VDNRIMXGOMBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O2/c1-19(2,3)18(25)23-16-6-4-5-15(11-16)22-17(24)12-21-14-9-7-13(20)8-10-14/h4-11,21H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 451.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54812623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).