2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

C15H21ClN2O2 — CID 74645893

IUPAC2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
SMILESCC(C)NC(=O)C(NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H21ClN2O2/c1-9(2)13(15(20)17-10(3)4)18-14(19)11-7-5-6-8-12(11)16/h5-10,13H,1-4H3,(H,17,20)(H,18,19)
InChIKeyFBXQJERQIIYXRE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.62
Rot. Bonds5

About 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide (PubChem CID 74645893) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
PubChem CID74645893
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
SMILESCC(C)NC(=O)C(NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H21ClN2O2/c1-9(2)13(15(20)17-10(3)4)18-14(19)11-7-5-6-8-12(11)16/h5-10,13H,1-4H3,(H,17,20)(H,18,19)
InChIKeyFBXQJERQIIYXRE-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2S)-3-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]benzamide
CID 9300131
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 1248820
2-chloro-N-[(2S)-1-[2,6-di(propan-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9138768
2-chloro-N-[3-methyl-1-(4-methylpentylamino)-1-oxobutan-2-yl]benzamide
CID 46447854
2-chloro-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9327127
2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433
2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529
2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 9153625
N-[(2S)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 32689439
(E)-2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]hex-4-enoic acid
CID 120694188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide (CID 74645893) is 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide is CC(C)NC(=O)C(NC(=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
The InChIKey is FBXQJERQIIYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9(2)13(15(20)17-10(3)4)18-14(19)11-7-5-6-8-12(11)16/h5-10,13H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 74645893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).