3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide

C20H23FN4O2 — CID 75625270

IUPAC3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2CNNC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN4O2/c1-13-3-9-16(10-4-13)23-18(26)12-25(2)20(27)17-11-22-24-19(17)14-5-7-15(21)8-6-14/h3-10,17,19,22,24H,11-12H2,1-2H3,(H,23,26)
InChIKeyRWVVXRDKRVJASD-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.00
Rot. Bonds5

About 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide

3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide (PubChem CID 75625270) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
PubChem CID75625270
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2CNNC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN4O2/c1-13-3-9-16(10-4-13)23-18(26)12-25(2)20(27)17-11-22-24-19(17)14-5-7-15(21)8-6-14/h3-10,17,19,22,24H,11-12H2,1-2H3,(H,23,26)
InChIKeyRWVVXRDKRVJASD-UHFFFAOYSA-N
XLogP2.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 2127655
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 9440816
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide (CID 75625270) is 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C2CNNC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide?
The InChIKey is RWVVXRDKRVJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-13-3-9-16(10-4-13)23-18(26)12-25(2)20(27)17-11-22-24-19(17)14-5-7-15(21)8-6-14/h3-10,17,19,22,24H,11-12H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide?
3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 75625270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).