[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate

C23H20ClNO2 — CID 71615857

IUPAC[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(Cl)ccc1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO2/c1-25(2)23(26)27-22-16-19(24)13-14-20(22)21(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-16H,1-2H3/b21-15+
InChIKeyVXLCVBJTTCKHAK-RCCKNPSSSA-N
MW377.87 g/mol
LogP5.99
Rot. Bonds4

About [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate

[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate (PubChem CID 71615857) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate
PubChem CID71615857
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(Cl)ccc1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO2/c1-25(2)23(26)27-22-16-19(24)13-14-20(22)21(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-16H,1-2H3/b21-15+
InChIKeyVXLCVBJTTCKHAK-RCCKNPSSSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,4-ditert-butyl-6-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate
CID 71615856
2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
CID 71527195
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
[2-[3-(4-chlorophenyl)-3-hydroxyprop-2-enoyl]phenyl] N,N-dimethylcarbamate
CID 7195614
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
3-[(E)-1,2-diphenylethenyl]-N,N-dimethylbenzamide
CID 121493703
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] benzoate
CID 86575054

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate (CID 71615857) is [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(Cl)ccc1/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is VXLCVBJTTCKHAK-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-25(2)23(26)27-22-16-19(24)13-14-20(22)21(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-16H,1-2H3/b21-15+.
What are the key properties of [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate?
[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 377.87 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 71615857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).