N-anilinocarbamoyl chloride

C7H7ClN2O — CID 57449233

IUPACN-anilinocarbamoyl chloride
SMILESO=C(Cl)NNc1ccccc1
InChIInChI=1S/C7H7ClN2O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H,10,11)
InChIKeySKDDQWHEAFGADN-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.96
Rot. Bonds2

About N-anilinocarbamoyl chloride

N-anilinocarbamoyl chloride (PubChem CID 57449233) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is N-anilinocarbamoyl chloride.

Molecular Properties

Compound NameN-anilinocarbamoyl chloride
PubChem CID57449233
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC NameN-anilinocarbamoyl chloride
SMILESO=C(Cl)NNc1ccccc1
InChIInChI=1S/C7H7ClN2O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H,10,11)
InChIKeySKDDQWHEAFGADN-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1-anilino-3-hydroxyurea
CID 2763972
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503
ethane;N-phenylcarbamoyl chloride
CID 91362970
N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide
CID 167961676
1-anilino-3-sulfanylideneurea
CID 54549262
N'-phenylprop-2-enehydrazide
CID 21179187
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
1-anilino-3-methylurea;ethane
CID 143768639
2-fluoro-N'-phenylacetohydrazide
CID 16862
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757

Frequently Asked Questions

What is the IUPAC name of N-anilinocarbamoyl chloride?
The IUPAC name of N-anilinocarbamoyl chloride (CID 57449233) is N-anilinocarbamoyl chloride.
What is the SMILES notation for N-anilinocarbamoyl chloride?
The canonical SMILES for N-anilinocarbamoyl chloride is O=C(Cl)NNc1ccccc1.
What is the InChIKey of N-anilinocarbamoyl chloride?
The InChIKey is SKDDQWHEAFGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H,10,11).
What are the key properties of N-anilinocarbamoyl chloride?
N-anilinocarbamoyl chloride has a molecular weight of 170.60 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilinocarbamoyl chloride is sourced from PubChem (CID 57449233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).