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

C23H23Cl2N5O2 — CID 90739094

IUPAC2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide
SMILESCN(C)Nc1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2Cl)cc1
InChIInChI=1S/C23H23Cl2N5O2/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)
InChIKeyCYMWVFLQCHOAAK-UHFFFAOYSA-N
MW472.38 g/mol
LogP5.38
Rot. Bonds7

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

2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide (PubChem CID 90739094) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide
PubChem CID90739094
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide
SMILESCN(C)Nc1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2Cl)cc1
InChIInChI=1S/C23H23Cl2N5O2/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)
InChIKeyCYMWVFLQCHOAAK-UHFFFAOYSA-N
XLogP5.38
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-(2-iodophenyl)acetamide
CID 91056817
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea
CID 11191012
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide
CID 70274024
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
CID 55699083
(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
CID 107316089
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
CID 8676014
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide (CID 90739094) is 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide is CN(C)Nc1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide?
The InChIKey is CYMWVFLQCHOAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/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-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide?
2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide has a molecular weight of 472.38 g/mol, XLogP of 5.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]acetamide is sourced from PubChem (CID 90739094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).