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

C18H18ClF2NO4 — CID 18966731

IUPACpropan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
SMILESCC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C18H18ClF2NO4/c1-11(2)25-18(23)22-5-6-24-17-4-3-14(10-16(17)19)26-15-8-12(20)7-13(21)9-15/h3-4,7-11H,5-6H2,1-2H3,(H,22,23)
InChIKeyRKSURCDHIXOCHV-UHFFFAOYSA-N
MW385.79 g/mol
LogP4.92
Rot. Bonds7

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

propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate (PubChem CID 18966731) has the molecular formula C18H18ClF2NO4 and a molecular weight of 385.79 g/mol. Its IUPAC name is propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
PubChem CID18966731
Molecular FormulaC18H18ClF2NO4
Molecular Weight385.79 g/mol
Exact Mass385.09
IUPAC Namepropan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
SMILESCC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C18H18ClF2NO4/c1-11(2)25-18(23)22-5-6-24-17-4-3-14(10-16(17)19)26-15-8-12(20)7-13(21)9-15/h3-4,7-11H,5-6H2,1-2H3,(H,22,23)
InChIKeyRKSURCDHIXOCHV-UHFFFAOYSA-N
XLogP4.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 18966639
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
N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
CID 54403626
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
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate (CID 18966731) is propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate is CC(C)OC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
The InChIKey is RKSURCDHIXOCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO4/c1-11(2)25-18(23)22-5-6-24-17-4-3-14(10-16(17)19)26-15-8-12(20)7-13(21)9-15/h3-4,7-11H,5-6H2,1-2H3,(H,22,23).
What are the key properties of propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate?
propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate has a molecular weight of 385.79 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 18966731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).