methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate

C14H19ClN2O3 — CID 62832150

IUPACmethyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
SMILESCCNC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C14H19ClN2O3/c1-5-16-14(2,3)13(19)17-11-7-6-9(15)8-10(11)12(18)20-4/h6-8,16H,5H2,1-4H3,(H,17,19)
InChIKeyKEJMLDDSSFYZFL-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.45
Rot. Bonds5

About methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate

methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate (PubChem CID 62832150) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
PubChem CID62832150
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Namemethyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
SMILESCCNC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C14H19ClN2O3/c1-5-16-14(2,3)13(19)17-11-7-6-9(15)8-10(11)12(18)20-4/h6-8,16H,5H2,1-4H3,(H,17,19)
InChIKeyKEJMLDDSSFYZFL-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
CID 79809249
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
CID 11425737
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
methyl 5-chloro-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzoate
CID 81412886
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-5-iodobenzoic acid
CID 63111693
methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
CID 62836849
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoate
CID 61173703
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
methyl 5-chloro-2-(2,2-dimethoxyethylamino)benzoate
CID 63685157
2-[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 51039954
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114259790

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate (CID 62832150) is methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate is CCNC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate?
The InChIKey is KEJMLDDSSFYZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-5-16-14(2,3)13(19)17-11-7-6-9(15)8-10(11)12(18)20-4/h6-8,16H,5H2,1-4H3,(H,17,19).
What are the key properties of methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate?
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate has a molecular weight of 298.77 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 62832150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).