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

C21H25ClN2O2 — CID 8839518

IUPAC4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCCc1ccccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-15-7-5-6-8-18(15)23-21(26)19(13-14(2)3)24-20(25)16-9-11-17(22)12-10-16/h5-12,14,19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyXXQYIAQGMCMAAS-LJQANCHMSA-N
MW372.90 g/mol
LogP4.69
Rot. Bonds7

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

4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 8839518) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID8839518
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCCc1ccccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-15-7-5-6-8-18(15)23-21(26)19(13-14(2)3)24-20(25)16-9-11-17(22)12-10-16/h5-12,14,19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyXXQYIAQGMCMAAS-LJQANCHMSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.69
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-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 119440668
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 9412555
4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
CID 9300609
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
4-chloro-N-[(2R)-1-[4-(cyanomethyl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 9260032
4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 41083228
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 8839518) is 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide is CCc1ccccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is XXQYIAQGMCMAAS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-15-7-5-6-8-18(15)23-21(26)19(13-14(2)3)24-20(25)16-9-11-17(22)12-10-16/h5-12,14,19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.69, 7 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-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 8839518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).