N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

C19H21ClN2O2 — CID 40701331

IUPACN-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)12-17(19(24)21-16-6-4-3-5-7-16)22-18(23)14-8-10-15(20)11-9-14/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyDNLLRKASICWEDM-QGZVFWFLSA-N
MW344.84 g/mol
LogP4.12
Rot. Bonds6

About N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (PubChem CID 40701331) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
PubChem CID40701331
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)12-17(19(24)21-16-6-4-3-5-7-16)22-18(23)14-8-10-15(20)11-9-14/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyDNLLRKASICWEDM-QGZVFWFLSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 9412555
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
4-chloro-N-[(2R)-1-[4-(cyanomethyl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 9260032
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
4-chloro-N-[(2S)-1-(2,3-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8714295
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2551732
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (CID 40701331) is N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The InChIKey is DNLLRKASICWEDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)12-17(19(24)21-16-6-4-3-5-7-16)22-18(23)14-8-10-15(20)11-9-14/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 40701331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).