2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide

C23H23ClIN5O2 — CID 91056817

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide
SMILESCN(C)Nc1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2I)cc1
InChIInChI=1S/C23H23ClIN5O2/c1-30(2)29-18-13-11-16(12-14-18)26-22(31)21(19-5-3-4-6-20(19)25)28-23(32)27-17-9-7-15(24)8-10-17/h3-14,21,29H,1-2H3,(H,26,31)(H2,27,28,32)
InChIKeyIQZDCLMMEOVUCA-UHFFFAOYSA-N
MW563.83 g/mol
LogP5.33
Rot. Bonds7

About 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide (PubChem CID 91056817) has the molecular formula C23H23ClIN5O2 and a molecular weight of 563.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide
PubChem CID91056817
Molecular FormulaC23H23ClIN5O2
Molecular Weight563.83 g/mol
Exact Mass563.06
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide
SMILESCN(C)Nc1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2I)cc1
InChIInChI=1S/C23H23ClIN5O2/c1-30(2)29-18-13-11-16(12-14-18)26-22(31)21(19-5-3-4-6-20(19)25)28-23(32)27-17-9-7-15(24)8-10-17/h3-14,21,29H,1-2H3,(H,26,31)(H2,27,28,32)
InChIKeyIQZDCLMMEOVUCA-UHFFFAOYSA-N
XLogP5.33
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.83
LogP ≤ 55.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide
CID 90739094
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
CID 11754112
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(methylhydrazinylidene)cyclohexa-1,5-dien-1-yl]-2-phenylacetamide
CID 68696137
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
CID 70346476
[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
CID 67780916

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide (CID 91056817) is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide is CN(C)Nc1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2I)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide?
The InChIKey is IQZDCLMMEOVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClIN5O2/c1-30(2)29-18-13-11-16(12-14-18)26-22(31)21(19-5-3-4-6-20(19)25)28-23(32)27-17-9-7-15(24)8-10-17/h3-14,21,29H,1-2H3,(H,26,31)(H2,27,28,32).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide?
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide has a molecular weight of 563.83 g/mol, XLogP of 5.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide is sourced from PubChem (CID 91056817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).