[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate

C11H13ClN2O2 — CID 177405646

IUPAC[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate
SMILESCC/C(Cl)=N/OC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H13ClN2O2/c1-3-10(12)14-16-11(15)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,15)/b14-10-
InChIKeyQJEQBAUZCNFHAB-UVTDQMKNSA-N
MW240.69 g/mol
LogP3.51
Rot. Bonds3

About [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate

[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate (PubChem CID 177405646) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate
PubChem CID177405646
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate
SMILESCC/C(Cl)=N/OC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H13ClN2O2/c1-3-10(12)14-16-11(15)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,15)/b14-10-
InChIKeyQJEQBAUZCNFHAB-UVTDQMKNSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-chlorobutylideneamino] N-(4-fluorophenyl)carbamate
CID 5466258
(1-chlorobutylideneamino) N-(4-acetylphenyl)carbamate
CID 3716356
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
(1-chloroethylideneamino) N-(4-butoxyphenyl)carbamate
CID 3372867
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
[N'-(2-ethylbutanoyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 22295869
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 68500642
amino N-(4-methylphenyl)carbamate
CID 22737872
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
CID 5409159
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate?
The IUPAC name of [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate (CID 177405646) is [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate?
The canonical SMILES for [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate is CC/C(Cl)=N/OC(=O)Nc1ccc(C)cc1.
What is the InChIKey of [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate?
The InChIKey is QJEQBAUZCNFHAB-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-3-10(12)14-16-11(15)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,15)/b14-10-.
What are the key properties of [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate?
[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate has a molecular weight of 240.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 177405646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).