ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate

C19H18ClNO3 — CID 8885490

IUPACethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H18ClNO3/c1-2-24-17(22)13-3-9-16(10-4-13)21-18(23)19(11-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyKMSTUXCMWPDUQN-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.19
Rot. Bonds5

About ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate

ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 8885490) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID8885490
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Nameethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H18ClNO3/c1-2-24-17(22)13-3-9-16(10-4-13)21-18(23)19(11-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyKMSTUXCMWPDUQN-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198969
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
ethyl 4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980918
ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
CID 20516641
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100746593
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate (CID 8885490) is ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is KMSTUXCMWPDUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-2-24-17(22)13-3-9-16(10-4-13)21-18(23)19(11-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 343.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 8885490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).