methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate

C14H19ClN2O4 — CID 119789400

IUPACmethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-14(2,13(19)21-4)7-17-12(18)8-5-9(15)10(16)6-11(8)20-3/h5-6H,7,16H2,1-4H3,(H,17,18)
InChIKeyFIWNLSADVCCVFO-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate

methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate (PubChem CID 119789400) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
PubChem CID119789400
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Namemethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-14(2,13(19)21-4)7-17-12(18)8-5-9(15)10(16)6-11(8)20-3/h5-6H,7,16H2,1-4H3,(H,17,18)
InChIKeyFIWNLSADVCCVFO-UHFFFAOYSA-N
XLogP1.86
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 119830234
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 119787675
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate (CID 119789400) is methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate?
The InChIKey is FIWNLSADVCCVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-14(2,13(19)21-4)7-17-12(18)8-5-9(15)10(16)6-11(8)20-3/h5-6H,7,16H2,1-4H3,(H,17,18).
What are the key properties of methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate has a molecular weight of 314.77 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 119789400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).