2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C14H19ClN2O2 — CID 47100101

IUPAC2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C14H19ClN2O2/c1-4-16-14(19)12(9(2)3)17-13(18)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyIGAOWQBKFSZOBJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.23
Rot. Bonds5

About 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 47100101) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID47100101
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C14H19ClN2O2/c1-4-16-14(19)12(9(2)3)17-13(18)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyIGAOWQBKFSZOBJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529
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-[3-methyl-1-(4-methylpentylamino)-1-oxobutan-2-yl]benzamide
CID 46447854
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 9153625
(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
tert-butyl N-[(2R)-3-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl]carbamate
CID 97012231
2-chloro-N-[1-[(4-cyanophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134035358
tert-butyl N-[(2R)-3-[[(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl]carbamate
CID 97012230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 47100101) is 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is IGAOWQBKFSZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-16-14(19)12(9(2)3)17-13(18)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 47100101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).