1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate

C19H20ClF2NO5 — CID 18966639

IUPAC1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
SMILESCCOC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C19H20ClF2NO5/c1-3-25-12(2)27-19(24)23-6-7-26-18-5-4-15(11-17(18)20)28-16-9-13(21)8-14(22)10-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,23,24)
InChIKeyBCASCPWVFIQHSC-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.90
Rot. Bonds9

About 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate

1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate (PubChem CID 18966639) has the molecular formula C19H20ClF2NO5 and a molecular weight of 415.82 g/mol. Its IUPAC name is 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Name1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
PubChem CID18966639
Molecular FormulaC19H20ClF2NO5
Molecular Weight415.82 g/mol
Exact Mass415.10
IUPAC Name1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
SMILESCCOC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C19H20ClF2NO5/c1-3-25-12(2)27-19(24)23-6-7-26-18-5-4-15(11-17(18)20)28-16-9-13(21)8-14(22)10-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,23,24)
InChIKeyBCASCPWVFIQHSC-UHFFFAOYSA-N
XLogP4.90
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 18966731
1-bromopropan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 54139372
2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethylcarbamic acid
CID 57257814
2-chloroethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 18966667
2,2,2-trifluoroethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 18966686
butan-2-yl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 54238460
but-3-yn-2-yl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 54420868
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
4-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]-N-ethoxybutan-1-imine
CID 173358911
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
2-bromoethyl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 18966710
2-methylbut-3-yn-2-yl N-[2-[2-chloro-4-(3-chlorophenoxy)phenoxy]ethyl]carbamate
CID 18966722

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
The IUPAC name of 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate (CID 18966639) is 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
The canonical SMILES for 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate is CCOC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
The InChIKey is BCASCPWVFIQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO5/c1-3-25-12(2)27-19(24)23-6-7-26-18-5-4-15(11-17(18)20)28-16-9-13(21)8-14(22)10-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,23,24).
What are the key properties of 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate has a molecular weight of 415.82 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 18966639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).