N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C24H22FN3O4 — CID 55959407

IUPACN-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1F
InChIInChI=1S/C24H22FN3O4/c1-16-4-5-18(15-20(16)25)24(31)28-12-10-27(11-13-28)23(30)17-6-8-19(9-7-17)26-22(29)21-3-2-14-32-21/h2-9,14-15H,10-13H2,1H3,(H,26,29)
InChIKeyFGZNTXBCLNTBFG-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.58
Rot. Bonds4

About N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 55959407) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID55959407
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC NameN-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1F
InChIInChI=1S/C24H22FN3O4/c1-16-4-5-18(15-20(16)25)24(31)28-12-10-27(11-13-28)23(30)17-6-8-19(9-7-17)26-22(29)21-3-2-14-32-21/h2-9,14-15H,10-13H2,1H3,(H,26,29)
InChIKeyFGZNTXBCLNTBFG-UHFFFAOYSA-N
XLogP3.58
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55961197
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431790
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
N-[3-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166412079

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 55959407) is N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1F.
What is the InChIKey of N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is FGZNTXBCLNTBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-16-4-5-18(15-20(16)25)24(31)28-12-10-27(11-13-28)23(30)17-6-8-19(9-7-17)26-22(29)21-3-2-14-32-21/h2-9,14-15H,10-13H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55959407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).