N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide

C22H23FN2O2 — CID 172669326

IUPACN-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide
SMILESCc1ccc(C(=O)N2CC=CC2)cc1NC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c1-16-7-10-18(22(27)25-13-2-3-14-25)15-20(16)24-21(26)6-4-5-17-8-11-19(23)12-9-17/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,24,26)
InChIKeyOFZQFIUUHKEJKS-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.11
Rot. Bonds6

About N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide

N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide (PubChem CID 172669326) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide
PubChem CID172669326
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide
SMILESCc1ccc(C(=O)N2CC=CC2)cc1NC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c1-16-7-10-18(22(27)25-13-2-3-14-25)15-20(16)24-21(26)6-4-5-17-8-11-19(23)12-9-17/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,24,26)
InChIKeyOFZQFIUUHKEJKS-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 798892
N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 172670285
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55777625
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide?
The IUPAC name of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide (CID 172669326) is N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide is Cc1ccc(C(=O)N2CC=CC2)cc1NC(=O)CCCc1ccc(F)cc1.
What is the InChIKey of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide?
The InChIKey is OFZQFIUUHKEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-16-7-10-18(22(27)25-13-2-3-14-25)15-20(16)24-21(26)6-4-5-17-8-11-19(23)12-9-17/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,24,26).
What are the key properties of N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide?
N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide has a molecular weight of 366.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dihydropyrrole-1-carbonyl)-2-methylphenyl]-4-(4-fluorophenyl)butanamide is sourced from PubChem (CID 172669326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).