[2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid

C19H19Cl2FN2O2 — CID 155144589

IUPAC[2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid
SMILESO=C(O)N(CC1CCNCC1)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24(19(25)26)11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,25,26)
InChIKeySXGCOAZNBJWWON-UHFFFAOYSA-N
MW397.28 g/mol
LogP5.28
Rot. Bonds4

About [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid

[2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid (PubChem CID 155144589) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid
PubChem CID155144589
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name[2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid
SMILESO=C(O)N(CC1CCNCC1)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24(19(25)26)11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,25,26)
InChIKeySXGCOAZNBJWWON-UHFFFAOYSA-N
XLogP5.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.28
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid?
The IUPAC name of [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid (CID 155144589) is [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid?
The canonical SMILES for [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid is O=C(O)N(CC1CCNCC1)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid?
The InChIKey is SXGCOAZNBJWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24(19(25)26)11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,25,26).
What are the key properties of [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid?
[2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid has a molecular weight of 397.28 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid is sourced from PubChem (CID 155144589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).