N-(benzylcarbamoyl)carbamoyl chloride

C9H9ClN2O2 — CID 10443184

IUPACN-(benzylcarbamoyl)carbamoyl chloride
SMILESO=C(Cl)NC(=O)NCc1ccccc1
InChIInChI=1S/C9H9ClN2O2/c10-8(13)12-9(14)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)
InChIKeyVLGABQKULCZOGR-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.84
Rot. Bonds2

About N-(benzylcarbamoyl)carbamoyl chloride

N-(benzylcarbamoyl)carbamoyl chloride (PubChem CID 10443184) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N-(benzylcarbamoyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(benzylcarbamoyl)carbamoyl chloride
PubChem CID10443184
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN-(benzylcarbamoyl)carbamoyl chloride
SMILESO=C(Cl)NC(=O)NCc1ccccc1
InChIInChI=1S/C9H9ClN2O2/c10-8(13)12-9(14)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)
InChIKeyVLGABQKULCZOGR-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.84
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'}

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Related Compounds

N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671968
1-benzyl-3-methylurea;ethane
CID 90763782
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
N-(benzylcarbamoyl)pyridine-4-carboxamide
CID 871557
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide
CID 47263081
(benzylcarbamoylamino)methanesulfonic acid
CID 14889772
4-(benzylamino)-3-chloropent-3-en-2-one
CID 155817862
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)carbamoyl chloride?
The IUPAC name of N-(benzylcarbamoyl)carbamoyl chloride (CID 10443184) is N-(benzylcarbamoyl)carbamoyl chloride.
What is the SMILES notation for N-(benzylcarbamoyl)carbamoyl chloride?
The canonical SMILES for N-(benzylcarbamoyl)carbamoyl chloride is O=C(Cl)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)carbamoyl chloride?
The InChIKey is VLGABQKULCZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8(13)12-9(14)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14).
What are the key properties of N-(benzylcarbamoyl)carbamoyl chloride?
N-(benzylcarbamoyl)carbamoyl chloride has a molecular weight of 212.64 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)carbamoyl chloride is sourced from PubChem (CID 10443184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).