2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C18H17Cl2FN2O2 — CID 9042478

IUPAC2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17Cl2FN2O2/c1-10(2)16(18(25)22-13-5-3-4-12(21)9-13)23-17(24)14-7-6-11(19)8-15(14)20/h3-10,16H,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyATPPRCXUSIFFFA-INIZCTEOSA-N
MW383.25 g/mol
LogP4.53
Rot. Bonds5

About 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 9042478) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID9042478
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC Name2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17Cl2FN2O2/c1-10(2)16(18(25)22-13-5-3-4-12(21)9-13)23-17(24)14-7-6-11(19)8-15(14)20/h3-10,16H,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyATPPRCXUSIFFFA-INIZCTEOSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 46180343
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7613187
4-chloro-N-[(2S)-3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 24536254
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2-chloro-N-[3-methyl-1-oxo-1-(3-propan-2-ylanilino)butan-2-yl]-4-nitrobenzamide
CID 74651230
2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 18145573
2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide
CID 9068604
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate
CID 55927157
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 9412555

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 9042478) is 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ATPPRCXUSIFFFA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-10(2)16(18(25)22-13-5-3-4-12(21)9-13)23-17(24)14-7-6-11(19)8-15(14)20/h3-10,16H,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 383.25 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 9042478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).