[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate

C17H16ClNO2 — CID 6115688

IUPAC[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC/C=C/c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-13-9-10-16(15(18)12-13)19-17(20)21-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,19,20)/b8-5+
InChIKeyXIUVOVNGRFWHCT-VMPITWQZSA-N
MW301.77 g/mol
LogP4.91
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate

[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate (PubChem CID 6115688) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate
PubChem CID6115688
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC/C=C/c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-13-9-10-16(15(18)12-13)19-17(20)21-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,19,20)/b8-5+
InChIKeyXIUVOVNGRFWHCT-VMPITWQZSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-3-phenylprop-2-enyl] N-(4-methyl-2-nitrophenyl)carbamate
CID 6185348
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509224
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
carbamic acid;3-methyl-2-(3-phenylprop-2-enoxycarbonylamino)benzoic acid
CID 69031457
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627260
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
methane;3-phenylprop-2-enyl acetate
CID 161251880
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806673
1-(2-chloro-4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 91099991

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate (CID 6115688) is [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate is Cc1ccc(NC(=O)OC/C=C/c2ccccc2)c(Cl)c1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate?
The InChIKey is XIUVOVNGRFWHCT-VMPITWQZSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-13-9-10-16(15(18)12-13)19-17(20)21-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,19,20)/b8-5+.
What are the key properties of [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate?
[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate has a molecular weight of 301.77 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 6115688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).