4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide

C19H20ClFN2O2 — CID 9412555

IUPAC4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H20ClFN2O2/c1-12(2)10-17(19(25)22-16-5-3-4-15(21)11-16)23-18(24)13-6-8-14(20)9-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyNCPOBBGXAOTRDX-QGZVFWFLSA-N
MW362.83 g/mol
LogP4.26
Rot. Bonds6

About 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 9412555) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID9412555
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H20ClFN2O2/c1-12(2)10-17(19(25)22-16-5-3-4-15(21)11-16)23-18(24)13-6-8-14(20)9-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyNCPOBBGXAOTRDX-QGZVFWFLSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
4-chloro-N-[(2S)-1-(2,3-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8714295
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
4-chloro-N-[(2R)-1-[4-(cyanomethyl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 9260032
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965752
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 9412555) is 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is NCPOBBGXAOTRDX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-12(2)10-17(19(25)22-16-5-3-4-15(21)11-16)23-18(24)13-6-8-14(20)9-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 362.83 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 9412555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).