ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate

C19H19ClFNO4 — CID 171677526

IUPACethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate
SMILESCCOC(=O)C(CC)NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO4/c1-3-16(19(24)25-4-2)22-18(23)15-11-12(20)5-10-17(15)26-14-8-6-13(21)7-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,23)
InChIKeyLBVWRHVHSNJUFT-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.34
Rot. Bonds7

About ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate

ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate (PubChem CID 171677526) has the molecular formula C19H19ClFNO4 and a molecular weight of 379.82 g/mol. Its IUPAC name is ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate
PubChem CID171677526
Molecular FormulaC19H19ClFNO4
Molecular Weight379.82 g/mol
Exact Mass379.10
IUPAC Nameethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate
SMILESCCOC(=O)C(CC)NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO4/c1-3-16(19(24)25-4-2)22-18(23)15-11-12(20)5-10-17(15)26-14-8-6-13(21)7-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,23)
InChIKeyLBVWRHVHSNJUFT-UHFFFAOYSA-N
XLogP4.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]-2-fluorobenzoic acid
CID 58905326
N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 143125922
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-fluorobenzamide
CID 61120893
ethyl 2-(4-chloro-2-iodoanilino)butanoate
CID 107634979
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]butanoic acid
CID 129414819
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155948994
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate?
The IUPAC name of ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate (CID 171677526) is ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate.
What is the SMILES notation for ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate?
The canonical SMILES for ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate is CCOC(=O)C(CC)NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate?
The InChIKey is LBVWRHVHSNJUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4/c1-3-16(19(24)25-4-2)22-18(23)15-11-12(20)5-10-17(15)26-14-8-6-13(21)7-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate?
ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate has a molecular weight of 379.82 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]butanoate is sourced from PubChem (CID 171677526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).