N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide

C19H17FN2O3 — CID 56794258

IUPACN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C19H17FN2O3/c1-11-2-5-14(20)10-16(11)19(25)21-15-6-3-12(4-7-15)8-13-9-17(23)22-18(13)24/h2-7,10,13H,8-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyWJWIQWIEWQOWCO-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide

N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide (PubChem CID 56794258) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
PubChem CID56794258
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C19H17FN2O3/c1-11-2-5-14(20)10-16(11)19(25)21-15-6-3-12(4-7-15)8-13-9-17(23)22-18(13)24/h2-7,10,13H,8-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyWJWIQWIEWQOWCO-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 98518315
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 96507817
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
(1S)-2,2-dichloro-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]cyclopropane-1-carboxamide
CID 95774363
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide
CID 98201350
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-methylpentanamide
CID 119798822
CID 146983467
CID 146983467
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 120794532
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95774368
(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
CID 98182993
N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide (CID 56794258) is N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide?
The InChIKey is WJWIQWIEWQOWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11-2-5-14(20)10-16(11)19(25)21-15-6-3-12(4-7-15)8-13-9-17(23)22-18(13)24/h2-7,10,13H,8-9H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide?
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide has a molecular weight of 340.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 56794258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).