N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide

C19H18ClFN2O3 — CID 110625454

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H18ClFN2O3/c1-12-4-2-3-5-14(12)17(24)8-9-18(25)22-11-19(26)23-13-6-7-16(21)15(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyZXYDHFFMUNBRIF-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110625454) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110625454
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H18ClFN2O3/c1-12-4-2-3-5-14(12)17(24)8-9-18(25)22-11-19(26)23-13-6-7-16(21)15(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyZXYDHFFMUNBRIF-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996573
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110305588
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
CID 110625415
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8790864
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide (CID 110625454) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide is Cc1ccccc1C(=O)CCC(=O)NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is ZXYDHFFMUNBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-12-4-2-3-5-14(12)17(24)8-9-18(25)22-11-19(26)23-13-6-7-16(21)15(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 376.82 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110625454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).