ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate

C19H20N2O3 — CID 112989771

IUPACethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)16-5-3-4-6-17(16)20-14-9-11-15(12-10-14)21-18(22)13-7-8-13/h3-6,9-13,20H,2,7-8H2,1H3,(H,21,22)
InChIKeyPOHHUTQQJNLOFT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.96
Rot. Bonds6

About ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate

ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate (PubChem CID 112989771) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
PubChem CID112989771
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)16-5-3-4-6-17(16)20-14-9-11-15(12-10-14)21-18(22)13-7-8-13/h3-6,9-13,20H,2,7-8H2,1H3,(H,21,22)
InChIKeyPOHHUTQQJNLOFT-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987589
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate?
The IUPAC name of ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate (CID 112989771) is ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate.
What is the SMILES notation for ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate?
The canonical SMILES for ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate?
The InChIKey is POHHUTQQJNLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-19(23)16-5-3-4-6-17(16)20-14-9-11-15(12-10-14)21-18(22)13-7-8-13/h3-6,9-13,20H,2,7-8H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate?
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate is sourced from PubChem (CID 112989771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).