5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid

C14H15Cl2NO3 — CID 76931623

IUPAC5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-11-5-6-12(16)10(9-11)4-7-13(18)17-8-2-1-3-14(19)20/h4-7,9H,1-3,8H2,(H,17,18)(H,19,20)
InChIKeyGLYJWVZQUNNMFW-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.38
Rot. Bonds7

About 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid

5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid (PubChem CID 76931623) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid
PubChem CID76931623
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-11-5-6-12(16)10(9-11)4-7-13(18)17-8-2-1-3-14(19)20/h4-7,9H,1-3,8H2,(H,17,18)(H,19,20)
InChIKeyGLYJWVZQUNNMFW-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid 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

(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
4-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-3-hydroxy-3-methylbutanoic acid
CID 77110999
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318451
7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
CID 115703465
4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]butanoic acid
CID 43092009
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
methyl 4-[3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoylamino]butanoate
CID 76857262
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
3-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008614

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid?
The IUPAC name of 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid (CID 76931623) is 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid.
What is the SMILES notation for 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid?
The canonical SMILES for 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid is O=C(O)CCCCNC(=O)C=Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid?
The InChIKey is GLYJWVZQUNNMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-11-5-6-12(16)10(9-11)4-7-13(18)17-8-2-1-3-14(19)20/h4-7,9H,1-3,8H2,(H,17,18)(H,19,20).
What are the key properties of 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid?
5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid has a molecular weight of 316.18 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid is sourced from PubChem (CID 76931623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).