N-(4-chlorophenyl)aziridine-1-carboxamide

C9H9ClN2O — CID 19280

IUPACN-(4-chlorophenyl)aziridine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC1
InChIInChI=1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13)
InChIKeySITOMVXCTAPIHJ-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.19
Rot. Bonds1

About N-(4-chlorophenyl)aziridine-1-carboxamide

N-(4-chlorophenyl)aziridine-1-carboxamide (PubChem CID 19280) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)aziridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)aziridine-1-carboxamide
PubChem CID19280
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC NameN-(4-chlorophenyl)aziridine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC1
InChIInChI=1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13)
InChIKeySITOMVXCTAPIHJ-UHFFFAOYSA-N
XLogP2.19
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Monuron
CID 8800
Monolinuron
CID 15629
Monomethyldiuron
CID 19113
4-Chlorophenylurea
CID 8796
Monomethylmonuron
CID 79309
Neburon
CID 11145
Buturon
CID 19587
4,4'-Dichlorocarbanilide
CID 94996
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)aziridine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)aziridine-1-carboxamide (CID 19280) is N-(4-chlorophenyl)aziridine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)aziridine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)aziridine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC1.
What is the InChIKey of N-(4-chlorophenyl)aziridine-1-carboxamide?
The InChIKey is SITOMVXCTAPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13).
What are the key properties of N-(4-chlorophenyl)aziridine-1-carboxamide?
N-(4-chlorophenyl)aziridine-1-carboxamide has a molecular weight of 196.64 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)aziridine-1-carboxamide is sourced from PubChem (CID 19280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).