tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate

C12H15ClN2O2 — CID 82482108

IUPACtert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(\N)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-12(2,3)17-11(16)15-10(14)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyIQEGWKXQMKFALL-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate

tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate (PubChem CID 82482108) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate
PubChem CID82482108
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Nametert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(\N)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-12(2,3)17-11(16)15-10(14)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyIQEGWKXQMKFALL-UHFFFAOYSA-N
XLogP2.98
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoic acid
CID 44890914
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
CID 82480855
tert-butyl 3-chloro-2-iodobenzoate
CID 135393983
tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate
CID 82480274
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
CID 110209427
tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
tert-butyl (NZ)-N-[amino-[5-(aminomethyl)-2-fluorothiophen-3-yl]methylidene]carbamate
CID 163225730
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086
tert-butyl 5-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-pyrazole-4-carboxylate
CID 135985035
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate (CID 82482108) is tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate is CC(C)(C)OC(=O)/N=C(\N)c1ccccc1Cl.
What is the InChIKey of tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate?
The InChIKey is IQEGWKXQMKFALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(2,3)17-11(16)15-10(14)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate?
tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate has a molecular weight of 254.72 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate is sourced from PubChem (CID 82482108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).