methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate

C12H14Cl2N2O4 — CID 122135859

IUPACmethyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
SMILESCOCC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)OC
InChIInChI=1S/C12H14Cl2N2O4/c1-19-5-9(12(18)20-2)16-11(17)6-3-7(13)10(15)8(14)4-6/h3-4,9H,5,15H2,1-2H3,(H,16,17)
InChIKeyFKVYLNKEKJKXLR-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate

methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate (PubChem CID 122135859) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
PubChem CID122135859
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Namemethyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
SMILESCOCC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)OC
InChIInChI=1S/C12H14Cl2N2O4/c1-19-5-9(12(18)20-2)16-11(17)6-3-7(13)10(15)8(14)4-6/h3-4,9H,5,15H2,1-2H3,(H,16,17)
InChIKeyFKVYLNKEKJKXLR-UHFFFAOYSA-N
XLogP1.49
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.49
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

4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-methoxypropanoate
CID 91203599
methyl (2S)-3-amino-2-[(4-amino-3-chlorobenzoyl)amino]propanoate
CID 68641791
methyl (2S)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-4-methoxybutanoate
CID 59948534
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-hydroxypropanoate
CID 20624102
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylsulfanylpropanoate
CID 59949684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate?
The IUPAC name of methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate (CID 122135859) is methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate.
What is the SMILES notation for methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate?
The canonical SMILES for methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate is COCC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate?
The InChIKey is FKVYLNKEKJKXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-19-5-9(12(18)20-2)16-11(17)6-3-7(13)10(15)8(14)4-6/h3-4,9H,5,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate?
methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate has a molecular weight of 321.16 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate is sourced from PubChem (CID 122135859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).