[2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid

C20H15ClFNO3 — CID 141200820

IUPAC[2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)cc1-c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H15ClFNO3/c21-17-10-14(16-11-15(22)7-8-18(16)23-20(24)25)6-9-19(17)26-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,25)
InChIKeyNUNBEEMUMQNTHD-UHFFFAOYSA-N
MW371.80 g/mol
LogP5.82
Rot. Bonds5

About [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid

[2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid (PubChem CID 141200820) has the molecular formula C20H15ClFNO3 and a molecular weight of 371.80 g/mol. Its IUPAC name is [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid
PubChem CID141200820
Molecular FormulaC20H15ClFNO3
Molecular Weight371.80 g/mol
Exact Mass371.07
IUPAC Name[2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)cc1-c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H15ClFNO3/c21-17-10-14(16-11-15(22)7-8-18(16)23-20(24)25)6-9-19(17)26-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,25)
InChIKeyNUNBEEMUMQNTHD-UHFFFAOYSA-N
XLogP5.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.80
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid?
The IUPAC name of [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid (CID 141200820) is [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid.
What is the SMILES notation for [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid?
The canonical SMILES for [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid is O=C(O)Nc1ccc(F)cc1-c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid?
The InChIKey is NUNBEEMUMQNTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO3/c21-17-10-14(16-11-15(22)7-8-18(16)23-20(24)25)6-9-19(17)26-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,25).
What are the key properties of [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid?
[2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid has a molecular weight of 371.80 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-phenylmethoxyphenyl)-4-fluorophenyl]carbamic acid is sourced from PubChem (CID 141200820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).