N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide

C25H24FN3O3 — CID 86887352

IUPACN-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C25H24FN3O3/c1-32-21-10-7-17(8-11-21)24(30)28-23-15-18(26)9-12-22(23)25(31)29-14-13-20(16-29)27-19-5-3-2-4-6-19/h2-12,15,20,27H,13-14,16H2,1H3,(H,28,30)
InChIKeyDJQJYYRENFQTCR-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide

N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide (PubChem CID 86887352) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide
PubChem CID86887352
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C25H24FN3O3/c1-32-21-10-7-17(8-11-21)24(30)28-23-15-18(26)9-12-22(23)25(31)29-14-13-20(16-29)27-19-5-3-2-4-6-19/h2-12,15,20,27H,13-14,16H2,1H3,(H,28,30)
InChIKeyDJQJYYRENFQTCR-UHFFFAOYSA-N
XLogP4.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
3-anilino-N-[(4-methoxyphenyl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 86903980
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide (CID 86887352) is N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1.
What is the InChIKey of N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide?
The InChIKey is DJQJYYRENFQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-32-21-10-7-17(8-11-21)24(30)28-23-15-18(26)9-12-22(23)25(31)29-14-13-20(16-29)27-19-5-3-2-4-6-19/h2-12,15,20,27H,13-14,16H2,1H3,(H,28,30).
What are the key properties of N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide?
N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide has a molecular weight of 433.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide is sourced from PubChem (CID 86887352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).