ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate

C19H20ClNO4 — CID 92680844

IUPACethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-11-25-15-8-5-13(6-9-15)18(22)21-17-10-7-14(12-16(17)20)19(23)24-4-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyGSFJAZLTZSBAEP-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.56
Rot. Bonds7

About ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate

ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate (PubChem CID 92680844) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
PubChem CID92680844
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Nameethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-11-25-15-8-5-13(6-9-15)18(22)21-17-10-7-14(12-16(17)20)19(23)24-4-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyGSFJAZLTZSBAEP-UHFFFAOYSA-N
XLogP4.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
ethyl 3-chloro-4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate
CID 30396105
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate (CID 92680844) is ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate is CCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2Cl)cc1.
What is the InChIKey of ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate?
The InChIKey is GSFJAZLTZSBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-11-25-15-8-5-13(6-9-15)18(22)21-17-10-7-14(12-16(17)20)19(23)24-4-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate?
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate has a molecular weight of 361.83 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate is sourced from PubChem (CID 92680844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).