methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate

C15H20ClNO3 — CID 115694595

IUPACmethyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(Cl)c(C)c1)C(=O)OC
InChIInChI=1S/C15H20ClNO3/c1-5-8-15(3,14(19)20-4)17-13(18)11-6-7-12(16)10(2)9-11/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKeyZWWBEWRFKOHMER-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.11
Rot. Bonds5

About methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate

methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate (PubChem CID 115694595) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
PubChem CID115694595
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Namemethyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(Cl)c(C)c1)C(=O)OC
InChIInChI=1S/C15H20ClNO3/c1-5-8-15(3,14(19)20-4)17-13(18)11-6-7-12(16)10(2)9-11/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKeyZWWBEWRFKOHMER-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
CID 49159358
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate (CID 115694595) is methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc(Cl)c(C)c1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate?
The InChIKey is ZWWBEWRFKOHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-5-8-15(3,14(19)20-4)17-13(18)11-6-7-12(16)10(2)9-11/h6-7,9H,5,8H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate?
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate has a molecular weight of 297.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate is sourced from PubChem (CID 115694595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).