N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide

C20H15ClFN3O2 — CID 59673213

IUPACN-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)c(F)c2)cc1
InChIInChI=1S/C20H15ClFN3O2/c1-12(26)24-14-5-7-15(8-6-14)25-20(27)13-4-9-16(18(22)11-13)19-17(21)3-2-10-23-19/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyCHKXREWLTDVBHZ-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.75
Rot. Bonds4

About N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide

N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide (PubChem CID 59673213) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
PubChem CID59673213
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC NameN-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)c(F)c2)cc1
InChIInChI=1S/C20H15ClFN3O2/c1-12(26)24-14-5-7-15(8-6-14)25-20(27)13-4-9-16(18(22)11-13)19-17(21)3-2-10-23-19/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyCHKXREWLTDVBHZ-UHFFFAOYSA-N
XLogP4.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673739
4-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-fluorobenzamide
CID 59673665
4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
CID 69201249
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
CID 59672610
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
CID 59672600
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
CID 59673439
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
3-fluoro-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673094
4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
3-fluoro-4-(3-methoxy-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 59672860
3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673274
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide (CID 59673213) is N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)c(F)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is CHKXREWLTDVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-12(26)24-14-5-7-15(8-6-14)25-20(27)13-4-9-16(18(22)11-13)19-17(21)3-2-10-23-19/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 383.81 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 59673213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).