ethyl 2-chloro-4-(propylamino)benzoate

C12H16ClNO2 — CID 154119419

IUPACethyl 2-chloro-4-(propylamino)benzoate
SMILESCCCNc1ccc(C(=O)OCC)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-7-14-9-5-6-10(11(13)8-9)12(15)16-4-2/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyOYETWGIDJVQNHN-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.34
Rot. Bonds5

About ethyl 2-chloro-4-(propylamino)benzoate

ethyl 2-chloro-4-(propylamino)benzoate (PubChem CID 154119419) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is ethyl 2-chloro-4-(propylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(propylamino)benzoate
PubChem CID154119419
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-chloro-4-(propylamino)benzoate
SMILESCCCNc1ccc(C(=O)OCC)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-7-14-9-5-6-10(11(13)8-9)12(15)16-4-2/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyOYETWGIDJVQNHN-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
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ethyl 2-chloro-4-[[4-(trifluoromethyl)anilino]methyl]benzoate
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ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
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ethyl 2-chloro-4,5-dimethylbenzoate
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ethyl 2-chloro-4-propoxybenzoate
CID 82551799
ethyl 2-chloro-4-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate
CID 46231354
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864
2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
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ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(propylamino)benzoate?
The IUPAC name of ethyl 2-chloro-4-(propylamino)benzoate (CID 154119419) is ethyl 2-chloro-4-(propylamino)benzoate.
What is the SMILES notation for ethyl 2-chloro-4-(propylamino)benzoate?
The canonical SMILES for ethyl 2-chloro-4-(propylamino)benzoate is CCCNc1ccc(C(=O)OCC)c(Cl)c1.
What is the InChIKey of ethyl 2-chloro-4-(propylamino)benzoate?
The InChIKey is OYETWGIDJVQNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-7-14-9-5-6-10(11(13)8-9)12(15)16-4-2/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-(propylamino)benzoate?
ethyl 2-chloro-4-(propylamino)benzoate has a molecular weight of 241.72 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(propylamino)benzoate is sourced from PubChem (CID 154119419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).