tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate

C13H17ClN2O2 — CID 7713725

IUPACtert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-5-7-11(14)8-6-10)15-16-12(17)18-13(2,3)4/h5-8H,1-4H3,(H,16,17)/b15-9-
InChIKeyCPFJNLMNSFYROO-DHDCSXOGSA-N
MW268.74 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate

tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate (PubChem CID 7713725) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
PubChem CID7713725
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Nametert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-5-7-11(14)8-6-10)15-16-12(17)18-13(2,3)4/h5-8H,1-4H3,(H,16,17)/b15-9-
InChIKeyCPFJNLMNSFYROO-DHDCSXOGSA-N
XLogP3.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[amino-(4-chlorophenyl)methylidene]amino]carbamate
CID 57364795
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate
CID 9074564
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
CID 9074784
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
tert-butyl N-[(Z)-[amino-(3-chloro-4-fluorophenyl)methylidene]amino]carbamate
CID 50998939
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
CID 3874602
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
tert-butyl N-[(Z)-[amino-(4-methylphenyl)methylidene]amino]carbamate
CID 50998868

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate (CID 7713725) is tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate is C/C(=N/NC(=O)OC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate?
The InChIKey is CPFJNLMNSFYROO-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(10-5-7-11(14)8-6-10)15-16-12(17)18-13(2,3)4/h5-8H,1-4H3,(H,16,17)/b15-9-.
What are the key properties of tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate?
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate has a molecular weight of 268.74 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 7713725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).