propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate

C15H21ClN2O4 — CID 119809764

IUPACpropan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)C(=O)OC(C)C
InChIInChI=1S/C15H21ClN2O4/c1-8(2)22-15(20)9(3)7-18-14(19)10-5-11(16)12(17)6-13(10)21-4/h5-6,8-9H,7,17H2,1-4H3,(H,18,19)
InChIKeyKJZZZPDASBFEMX-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.25
Rot. Bonds6

About propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate

propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate (PubChem CID 119809764) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
PubChem CID119809764
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namepropan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)C(=O)OC(C)C
InChIInChI=1S/C15H21ClN2O4/c1-8(2)22-15(20)9(3)7-18-14(19)10-5-11(16)12(17)6-13(10)21-4/h5-6,8-9H,7,17H2,1-4H3,(H,18,19)
InChIKeyKJZZZPDASBFEMX-UHFFFAOYSA-N
XLogP2.25
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.25
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

ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843
propan-2-yloxycarbonyl 4-amino-5-chloro-2-methoxybenzoate
CID 102269821
4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 119734148
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
CID 119805474
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate?
The IUPAC name of propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate (CID 119809764) is propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate is COc1cc(N)c(Cl)cc1C(=O)NCC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate?
The InChIKey is KJZZZPDASBFEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-8(2)22-15(20)9(3)7-18-14(19)10-5-11(16)12(17)6-13(10)21-4/h5-6,8-9H,7,17H2,1-4H3,(H,18,19).
What are the key properties of propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate?
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate has a molecular weight of 328.80 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 119809764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).