phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate

C18H17F2NO2 — CID 58659677

IUPACphenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCc1cc(F)cc(F)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H17F2NO2/c1-2-9-21(18(22)23-17-6-4-3-5-7-17)10-8-14-11-15(19)13-16(20)12-14/h2-7,11-13H,1,8-10H2
InChIKeyXZJIVMYYNJYWRA-UHFFFAOYSA-N
MW317.33 g/mol
LogP4.19
Rot. Bonds6

About phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate

phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate (PubChem CID 58659677) has the molecular formula C18H17F2NO2 and a molecular weight of 317.33 g/mol. Its IUPAC name is phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate
PubChem CID58659677
Molecular FormulaC18H17F2NO2
Molecular Weight317.33 g/mol
Exact Mass317.12
IUPAC Namephenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCc1cc(F)cc(F)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H17F2NO2/c1-2-9-21(18(22)23-17-6-4-3-5-7-17)10-8-14-11-15(19)13-16(20)12-14/h2-7,11-13H,1,8-10H2
InChIKeyXZJIVMYYNJYWRA-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
2-[[2-(3-fluorophenoxy)acetyl]-prop-2-enylamino]acetic acid
CID 79256898
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
CID 3906755
1-(4-fluorophenyl)-6-oxo-N-(2-phenylethyl)-N-prop-2-enylpyridazine-3-carboxamide
CID 47082609

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate?
The IUPAC name of phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate (CID 58659677) is phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate?
The canonical SMILES for phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate is C=CCN(CCc1cc(F)cc(F)c1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate?
The InChIKey is XZJIVMYYNJYWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-2-9-21(18(22)23-17-6-4-3-5-7-17)10-8-14-11-15(19)13-16(20)12-14/h2-7,11-13H,1,8-10H2.
What are the key properties of phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate?
phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate has a molecular weight of 317.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 58659677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).