methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate

C13H16ClNO2 — CID 107636551

IUPACmethyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate
SMILESCOC(=O)C(Nc1cc(C)ccc1Cl)C1CC1
InChIInChI=1S/C13H16ClNO2/c1-8-3-6-10(14)11(7-8)15-12(9-4-5-9)13(16)17-2/h3,6-7,9,12,15H,4-5H2,1-2H3
InChIKeyFAFJUEPOLCTPJE-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.01
Rot. Bonds4

About methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate

methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate (PubChem CID 107636551) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate
PubChem CID107636551
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate
SMILESCOC(=O)C(Nc1cc(C)ccc1Cl)C1CC1
InChIInChI=1S/C13H16ClNO2/c1-8-3-6-10(14)11(7-8)15-12(9-4-5-9)13(16)17-2/h3,6-7,9,12,15H,4-5H2,1-2H3
InChIKeyFAFJUEPOLCTPJE-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-cyclopropyl-2-methoxyethyl)-5-methylaniline
CID 115929925
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861
methyl (E)-3-(2-chloro-5-methylanilino)prop-2-enoate
CID 107636539
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-cyclopropylacetate
CID 104920850
methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate
CID 113369502
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
methyl 3-(2-chloro-5-methylphenyl)-2,3-dihydroxypropanoate
CID 171863608
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate?
The IUPAC name of methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate (CID 107636551) is methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate?
The canonical SMILES for methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate is COC(=O)C(Nc1cc(C)ccc1Cl)C1CC1.
What is the InChIKey of methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate?
The InChIKey is FAFJUEPOLCTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-3-6-10(14)11(7-8)15-12(9-4-5-9)13(16)17-2/h3,6-7,9,12,15H,4-5H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate?
methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate has a molecular weight of 253.73 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-5-methylanilino)-2-cyclopropylacetate is sourced from PubChem (CID 107636551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).