N-(2-anilinoethyl)carbamoyl chloride

C9H11ClN2O — CID 89292343

IUPACN-(2-anilinoethyl)carbamoyl chloride
SMILESO=C(Cl)NCCNc1ccccc1
InChIInChI=1S/C9H11ClN2O/c10-9(13)12-7-6-11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKeyWSRBQWUTWNWHIJ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.05
Rot. Bonds4

About N-(2-anilinoethyl)carbamoyl chloride

N-(2-anilinoethyl)carbamoyl chloride (PubChem CID 89292343) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-(2-anilinoethyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2-anilinoethyl)carbamoyl chloride
PubChem CID89292343
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-(2-anilinoethyl)carbamoyl chloride
SMILESO=C(Cl)NCCNc1ccccc1
InChIInChI=1S/C9H11ClN2O/c10-9(13)12-7-6-11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKeyWSRBQWUTWNWHIJ-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
4-anilinobutanamide
CID 67066705
5-anilinopentanoic acid
CID 28972030
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731
N'-iodo-N-phenylethane-1,2-diamine
CID 134342135
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
2-anilinoethanol;dichlorocopper
CID 174762840

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)carbamoyl chloride?
The IUPAC name of N-(2-anilinoethyl)carbamoyl chloride (CID 89292343) is N-(2-anilinoethyl)carbamoyl chloride.
What is the SMILES notation for N-(2-anilinoethyl)carbamoyl chloride?
The canonical SMILES for N-(2-anilinoethyl)carbamoyl chloride is O=C(Cl)NCCNc1ccccc1.
What is the InChIKey of N-(2-anilinoethyl)carbamoyl chloride?
The InChIKey is WSRBQWUTWNWHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9(13)12-7-6-11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13).
What are the key properties of N-(2-anilinoethyl)carbamoyl chloride?
N-(2-anilinoethyl)carbamoyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)carbamoyl chloride is sourced from PubChem (CID 89292343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).