N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide

C19H21Cl2N3O — CID 16718486

IUPACN-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide
SMILESCC(C)(C)CC(=O)/C(=N\c1ccc(Cl)cc1)NNc1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2N3O/c1-19(2,3)12-17(25)18(22-15-8-4-13(20)5-9-15)24-23-16-10-6-14(21)7-11-16/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyVPIHTJSWJMGFBK-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.65
Rot. Bonds5

About N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide

N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide (PubChem CID 16718486) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide.

Molecular Properties

Compound NameN-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide
PubChem CID16718486
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide
SMILESCC(C)(C)CC(=O)/C(=N\c1ccc(Cl)cc1)NNc1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2N3O/c1-19(2,3)12-17(25)18(22-15-8-4-13(20)5-9-15)24-23-16-10-6-14(21)7-11-16/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyVPIHTJSWJMGFBK-UHFFFAOYSA-N
XLogP5.65
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-(4-fluoroanilino)-3,3-dimethyl-2-oxobutanimidamide
CID 57455416
N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide
CID 16718538
N-(4-cyanoanilino)-N'-(4-cyanophenyl)-3,3-dimethyl-2-oxobutanimidamide
CID 68913055
N'-(3-chlorophenyl)-N-(4-methylanilino)-2-oxopropanimidamide
CID 3623188
1-(4-chloroanilino)-3-(4-chlorophenyl)iminothiourea
CID 11674245
1-N',5-N'-bis(4-bromophenyl)-1-N,5-N-bis(4-chloroanilino)-2,4-bis(furan-2-yl)-3-oxopentanediimidamide
CID 174548024
N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide
CID 16718483
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide
CID 175698567
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
CID 4854669

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide?
The IUPAC name of N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide (CID 16718486) is N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide.
What is the SMILES notation for N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide?
The canonical SMILES for N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide is CC(C)(C)CC(=O)/C(=N\c1ccc(Cl)cc1)NNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide?
The InChIKey is VPIHTJSWJMGFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-19(2,3)12-17(25)18(22-15-8-4-13(20)5-9-15)24-23-16-10-6-14(21)7-11-16/h4-11,23H,12H2,1-3H3,(H,22,24).
What are the key properties of N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide?
N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide has a molecular weight of 378.30 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroanilino)-N'-(4-chlorophenyl)-4,4-dimethyl-2-oxopentanimidamide is sourced from PubChem (CID 16718486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).