N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride

C18H20ClFN4O2 — CID 161429072

IUPACN-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1F)c1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H19FN4O2.ClH/c19-15-3-1-2-4-16(15)22-17(24)13-5-7-14(8-6-13)21-18(25)23-11-9-20-10-12-23;/h1-8,20H,9-12H2,(H,21,25)(H,22,24);1H
InChIKeyZZMGXOIWAFZCHX-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.94
Rot. Bonds3

About N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride

N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 161429072) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
PubChem CID161429072
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC NameN-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1F)c1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H19FN4O2.ClH/c19-15-3-1-2-4-16(15)22-17(24)13-5-7-14(8-6-13)21-18(25)23-11-9-20-10-12-23;/h1-8,20H,9-12H2,(H,21,25)(H,22,24);1H
InChIKeyZZMGXOIWAFZCHX-UHFFFAOYSA-N
XLogP2.94
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride (CID 161429072) is N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1F)c1ccc(NC(=O)N2CCNCC2)cc1.
What is the InChIKey of N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is ZZMGXOIWAFZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2.ClH/c19-15-3-1-2-4-16(15)22-17(24)13-5-7-14(8-6-13)21-18(25)23-11-9-20-10-12-23;/h1-8,20H,9-12H2,(H,21,25)(H,22,24);1H.
What are the key properties of N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride?
N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 378.84 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 161429072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).