N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride

C7H3Cl3N2O3 — CID 22150912

IUPACN-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1cc(Cl)c([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C7H3Cl3N2O3/c8-4-1-3(11-7(10)13)2-5(9)6(4)12(14)15/h1-2H,(H,11,13)
InChIKeyWWXBZUJKSZOICH-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.67
Rot. Bonds2

About N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride

N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride (PubChem CID 22150912) has the molecular formula C7H3Cl3N2O3 and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride
PubChem CID22150912
Molecular FormulaC7H3Cl3N2O3
Molecular Weight269.47 g/mol
Exact Mass267.92
IUPAC NameN-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride
SMILESO=C(Cl)Nc1cc(Cl)c([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C7H3Cl3N2O3/c8-4-1-3(11-7(10)13)2-5(9)6(4)12(14)15/h1-2H,(H,11,13)
InChIKeyWWXBZUJKSZOICH-UHFFFAOYSA-N
XLogP3.67
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-nitrobenzamide
CID 121228420
methyl 3,5-dichloro-4-nitrobenzoate
CID 131863205
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
methyl 2-(3,5-dichloro-2-nitrophenyl)acetate
CID 134890332
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
2-(5-bromo-3-chloro-2-nitrophenyl)acetic acid
CID 131537690
N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride
CID 135378900
N-(3,6-dichloro-2-nitrophenyl)acetamide
CID 70604003
2-[5-(bromomethyl)-3-chloro-2-nitrophenyl]acetic acid
CID 171020990
methyl 3-chloro-5-methyl-2-nitrobenzoate
CID 134646508
3-chloro-5-methyl-2-nitrobenzoic acid
CID 130775428
N-(3,5-ditert-butyl-4-nitrophenyl)acetamide
CID 56696333

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride?
The IUPAC name of N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride (CID 22150912) is N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride.
What is the SMILES notation for N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride?
The canonical SMILES for N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride is O=C(Cl)Nc1cc(Cl)c([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride?
The InChIKey is WWXBZUJKSZOICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3N2O3/c8-4-1-3(11-7(10)13)2-5(9)6(4)12(14)15/h1-2H,(H,11,13).
What are the key properties of N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride?
N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride has a molecular weight of 269.47 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride is sourced from PubChem (CID 22150912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).