N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide

C22H17Cl2FN2O2 — CID 42725617

IUPACN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C22H17Cl2FN2O2/c23-16-9-10-19(18(24)13-16)26-22(29)20(11-14-5-2-1-3-6-14)27-21(28)15-7-4-8-17(25)12-15/h1-10,12-13,20H,11H2,(H,26,29)(H,27,28)
InChIKeyLVOYGBUBPCZCFA-UHFFFAOYSA-N
MW431.29 g/mol
LogP5.11
Rot. Bonds6

About N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide (PubChem CID 42725617) has the molecular formula C22H17Cl2FN2O2 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
PubChem CID42725617
Molecular FormulaC22H17Cl2FN2O2
Molecular Weight431.29 g/mol
Exact Mass430.07
IUPAC NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C22H17Cl2FN2O2/c23-16-9-10-19(18(24)13-16)26-22(29)20(11-14-5-2-1-3-6-14)27-21(28)15-7-4-8-17(25)12-15/h1-10,12-13,20H,11H2,(H,26,29)(H,27,28)
InChIKeyLVOYGBUBPCZCFA-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 42725016
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
3-chloro-N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42663226
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
N-[1-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55460910
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide (CID 42725617) is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(F)c1.
What is the InChIKey of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide?
The InChIKey is LVOYGBUBPCZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O2/c23-16-9-10-19(18(24)13-16)26-22(29)20(11-14-5-2-1-3-6-14)27-21(28)15-7-4-8-17(25)12-15/h1-10,12-13,20H,11H2,(H,26,29)(H,27,28).
What are the key properties of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide?
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide has a molecular weight of 431.29 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 42725617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).