[3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate

C22H20FNO4 — CID 122623177

IUPAC[3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCCOCc2ccccc2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FNO4/c23-18-8-6-17(7-9-18)20-14-19(28-22(24)25)10-11-21(20)27-13-12-26-15-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H2,24,25)
InChIKeyCVJBHHANFIDSOR-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.55
Rot. Bonds8

About [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate

[3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate (PubChem CID 122623177) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate
PubChem CID122623177
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name[3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCCOCc2ccccc2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FNO4/c23-18-8-6-17(7-9-18)20-14-19(28-22(24)25)10-11-21(20)27-13-12-26-15-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H2,24,25)
InChIKeyCVJBHHANFIDSOR-UHFFFAOYSA-N
XLogP4.55
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.55
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

1,2-Propanediol, 3-(2-biphenylyloxy)-, 1-carbamate
CID 120655
(4-Acetyloxy-3,5-diphenylphenyl) acetate
CID 12507854
[4-Acetyloxy-2-phenyl-5-[4-(trifluoromethyl)phenyl]phenyl] acetate
CID 54582052
(4-Acetyloxy-2,5-diphenylphenyl) acetate
CID 313354
2,6-Diphenyl-4-methoxyphenyl acetate
CID 129811304
[2-[4-(4-Fluorophenoxy)phenoxy]-2-phenylpropyl] acetate
CID 53933581
[2-[4-(4-Fluorophenoxy)phenoxy]-2-phenylethyl] acetate
CID 54271706
(2-Fluoro-4-methylphenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)butan-2-yl]phosphane
CID 68401131
(2-Fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)butan-2-yl]phosphane
CID 68401145
[4-(4-Ethyl-2-methoxyphenoxy)-3-fluorophenyl] carbamate
CID 69048837
Tert-butyl-4-benzyloxy-2-fluoro-phenyl acetate
CID 69213104
(2-Fluorophenyl)-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-yl]phosphane
CID 71191694

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate?
The IUPAC name of [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate (CID 122623177) is [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate.
What is the SMILES notation for [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate?
The canonical SMILES for [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate is NC(=O)Oc1ccc(OCCOCc2ccccc2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate?
The InChIKey is CVJBHHANFIDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c23-18-8-6-17(7-9-18)20-14-19(28-22(24)25)10-11-21(20)27-13-12-26-15-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H2,24,25).
What are the key properties of [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate?
[3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate has a molecular weight of 381.40 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-(2-phenylmethoxyethoxy)phenyl] carbamate is sourced from PubChem (CID 122623177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).