phenyl N-(2,4-dichloroanilino)carbamate

C13H10Cl2N2O2 — CID 154093412

IUPACphenyl N-(2,4-dichloroanilino)carbamate
SMILESO=C(NNc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C13H10Cl2N2O2/c14-9-6-7-12(11(15)8-9)16-17-13(18)19-10-4-2-1-3-5-10/h1-8,16H,(H,17,18)
InChIKeyDCCAZPDNTKRXLQ-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.11
Rot. Bonds3

About phenyl N-(2,4-dichloroanilino)carbamate

phenyl N-(2,4-dichloroanilino)carbamate (PubChem CID 154093412) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is phenyl N-(2,4-dichloroanilino)carbamate.

Molecular Properties

Compound Namephenyl N-(2,4-dichloroanilino)carbamate
PubChem CID154093412
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namephenyl N-(2,4-dichloroanilino)carbamate
SMILESO=C(NNc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C13H10Cl2N2O2/c14-9-6-7-12(11(15)8-9)16-17-13(18)19-10-4-2-1-3-5-10/h1-8,16H,(H,17,18)
InChIKeyDCCAZPDNTKRXLQ-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
(E)-2-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enoic acid
CID 117063535
N-(2,4-dichlorophenyl)-2,2-diphenoxyacetamide
CID 23964334
phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate
CID 59974908
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate
CID 142402098
1-benzyl-3-(2,4-dichloroanilino)thiourea
CID 8769434
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
CID 7961913

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,4-dichloroanilino)carbamate?
The IUPAC name of phenyl N-(2,4-dichloroanilino)carbamate (CID 154093412) is phenyl N-(2,4-dichloroanilino)carbamate.
What is the SMILES notation for phenyl N-(2,4-dichloroanilino)carbamate?
The canonical SMILES for phenyl N-(2,4-dichloroanilino)carbamate is O=C(NNc1ccc(Cl)cc1Cl)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,4-dichloroanilino)carbamate?
The InChIKey is DCCAZPDNTKRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-9-6-7-12(11(15)8-9)16-17-13(18)19-10-4-2-1-3-5-10/h1-8,16H,(H,17,18).
What are the key properties of phenyl N-(2,4-dichloroanilino)carbamate?
phenyl N-(2,4-dichloroanilino)carbamate has a molecular weight of 297.14 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,4-dichloroanilino)carbamate is sourced from PubChem (CID 154093412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).