N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide

C16H14Cl2FN3O — CID 75656770

IUPACN-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2FN3O/c17-10-3-1-9(2-4-10)15-12(8-20-22-15)16(23)21-11-5-6-14(19)13(18)7-11/h1-7,12,15,20,22H,8H2,(H,21,23)
InChIKeyWJSNAVUDFJNXDJ-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.54
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide (PubChem CID 75656770) has the molecular formula C16H14Cl2FN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
PubChem CID75656770
Molecular FormulaC16H14Cl2FN3O
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2FN3O/c17-10-3-1-9(2-4-10)15-12(8-20-22-15)16(23)21-11-5-6-14(19)13(18)7-11/h1-7,12,15,20,22H,8H2,(H,21,23)
InChIKeyWJSNAVUDFJNXDJ-UHFFFAOYSA-N
XLogP3.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
3-(4-chlorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-4-carboxamide
CID 73278654
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 75209970
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917469
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
2-N-(3-chloro-4-fluorophenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143094
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide (CID 75656770) is N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide?
The InChIKey is WJSNAVUDFJNXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O/c17-10-3-1-9(2-4-10)15-12(8-20-22-15)16(23)21-11-5-6-14(19)13(18)7-11/h1-7,12,15,20,22H,8H2,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide has a molecular weight of 354.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 75656770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).