tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate

C19H20ClNO2 — CID 25186868

IUPACtert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate
SMILESC=C(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO2/c1-14(15-10-6-5-7-11-15)21(18(22)23-19(2,3)4)17-13-9-8-12-16(17)20/h5-13H,1H2,2-4H3
InChIKeyCJMOVMCARPAIEW-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.75
Rot. Bonds3

About tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate

tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate (PubChem CID 25186868) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate
PubChem CID25186868
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Nametert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate
SMILESC=C(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO2/c1-14(15-10-6-5-7-11-15)21(18(22)23-19(2,3)4)17-13-9-8-12-16(17)20/h5-13H,1H2,2-4H3
InChIKeyCJMOVMCARPAIEW-UHFFFAOYSA-N
XLogP5.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cinnamic acid 2-chloro-N-methylanilide
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N-(2-chlorophenyl)-N-(4-methylphenyl)formamide
CID 86175020
tert-butyl N-benzyl-N-phenylcarbamate
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Tert-butyl (4-chlorophenyl)(phenyl)carbamate
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tert-butyl N-phenyl-N-(2-phenylethynyl)carbamate
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tert-butyl 4-[N-[(4-chlorophenyl)methyl]-4-fluoroanilino]piperidine-1-carboxylate
CID 10002128
tert-butyl 4-[4-chloro-N-[(4-fluorophenyl)methyl]anilino]piperidine-1-carboxylate
CID 10025052
tert-butyl 4-[N-[(4-chlorophenyl)methyl]-3-fluoroanilino]piperidine-1-carboxylate
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CID 10341997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate?
The IUPAC name of tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate (CID 25186868) is tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate is C=C(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate?
The InChIKey is CJMOVMCARPAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-14(15-10-6-5-7-11-15)21(18(22)23-19(2,3)4)17-13-9-8-12-16(17)20/h5-13H,1H2,2-4H3.
What are the key properties of tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate?
tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate has a molecular weight of 329.83 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate is sourced from PubChem (CID 25186868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).