methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate

C19H22ClNO3 — CID 14882869

IUPACmethyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCCCNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-23-19(22)12-5-15-3-10-18(11-4-15)24-14-2-13-21-17-8-6-16(20)7-9-17/h3-4,6-11,21H,2,5,12-14H2,1H3
InChIKeyDRBVBFUSZXNVLT-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.33
Rot. Bonds9

About methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate

methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate (PubChem CID 14882869) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
PubChem CID14882869
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Namemethyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCCCNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-23-19(22)12-5-15-3-10-18(11-4-15)24-14-2-13-21-17-8-6-16(20)7-9-17/h3-4,6-11,21H,2,5,12-14H2,1H3
InChIKeyDRBVBFUSZXNVLT-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate 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

methyl 3-[4-[3-(3-hydroxypropylamino)propoxy]phenyl]propanoate
CID 70495542
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate (CID 14882869) is methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCCCNc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate?
The InChIKey is DRBVBFUSZXNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-23-19(22)12-5-15-3-10-18(11-4-15)24-14-2-13-21-17-8-6-16(20)7-9-17/h3-4,6-11,21H,2,5,12-14H2,1H3.
What are the key properties of methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate?
methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate has a molecular weight of 347.84 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate is sourced from PubChem (CID 14882869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).