N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride

C10H10Cl3NO — CID 56949574

IUPACN-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)N(C(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO/c1-6(2)14(10(13)15)9-4-3-7(11)5-8(9)12/h3-6H,1-2H3
InChIKeyDVCJICXQJMATTF-UHFFFAOYSA-N
MW266.56 g/mol
LogP4.57
Rot. Bonds2

About N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride

N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride (PubChem CID 56949574) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
PubChem CID56949574
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC NameN-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)N(C(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO/c1-6(2)14(10(13)15)9-4-3-7(11)5-8(9)12/h3-6H,1-2H3
InChIKeyDVCJICXQJMATTF-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-methylpropanehydrazide
CID 67924615
N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986765
2-(N-acetyl-2,4-dichloroanilino)butanoic acid
CID 22492150
(2R)-2-(2,4-dichloro-N-ethylanilino)propanoic acid
CID 125045037
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate
CID 158906042
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
CID 15045876
2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride?
The IUPAC name of N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride (CID 56949574) is N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride is CC(C)N(C(=O)Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride?
The InChIKey is DVCJICXQJMATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-6(2)14(10(13)15)9-4-3-7(11)5-8(9)12/h3-6H,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride?
N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride has a molecular weight of 266.56 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride is sourced from PubChem (CID 56949574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).