methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate

C14H18ClNO3 — CID 176962244

IUPACmethyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate
SMILESCCCC(NC(=O)c1cccc(C)c1Cl)C(=O)OC
InChIInChI=1S/C14H18ClNO3/c1-4-6-11(14(18)19-3)16-13(17)10-8-5-7-9(2)12(10)15/h5,7-8,11H,4,6H2,1-3H3,(H,16,17)
InChIKeyBCPPXKHFRDZGDC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.72
Rot. Bonds5

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

methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate (PubChem CID 176962244) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate
PubChem CID176962244
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate
SMILESCCCC(NC(=O)c1cccc(C)c1Cl)C(=O)OC
InChIInChI=1S/C14H18ClNO3/c1-4-6-11(14(18)19-3)16-13(17)10-8-5-7-9(2)12(10)15/h5,7-8,11H,4,6H2,1-3H3,(H,16,17)
InChIKeyBCPPXKHFRDZGDC-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
2-chloro-N-(4-chlorobutan-2-yl)-3-methylbenzamide
CID 83178225
methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
CID 103492705
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylbenzamide
CID 61120312
methyl (2S)-2-[(4-bromonaphthalene-1-carbonyl)amino]pentanoate
CID 59949316
methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]pentanoate
CID 20624248
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]pentanoate
CID 20624112
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
2-chloro-N-(1-iodo-3-methylbutan-2-yl)-3-methylbenzamide
CID 107859884
methyl 2-[(4-bromo-3-methylbenzoyl)amino]pentanoate
CID 20624229

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate?
The IUPAC name of methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate (CID 176962244) is methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate.
What is the SMILES notation for methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate?
The canonical SMILES for methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate is CCCC(NC(=O)c1cccc(C)c1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate?
The InChIKey is BCPPXKHFRDZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-6-11(14(18)19-3)16-13(17)10-8-5-7-9(2)12(10)15/h5,7-8,11H,4,6H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate?
methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate has a molecular weight of 283.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate is sourced from PubChem (CID 176962244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).