(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide

C14H17Cl2NO2 — CID 115703465

IUPAC(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
SMILESCCC(O)CCNC(=O)/C=C/c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-2-12(18)7-8-17-14(19)6-3-10-9-11(15)4-5-13(10)16/h3-6,9,12,18H,2,7-8H2,1H3,(H,17,19)/b6-3+
InChIKeyLALDPKAXRYMEIY-ZZXKWVIFSA-N
MW302.20 g/mol
LogP3.28
Rot. Bonds6

About (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide

(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide (PubChem CID 115703465) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
PubChem CID115703465
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
SMILESCCC(O)CCNC(=O)/C=C/c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-2-12(18)7-8-17-14(19)6-3-10-9-11(15)4-5-13(10)16/h3-6,9,12,18H,2,7-8H2,1H3,(H,17,19)/b6-3+
InChIKeyLALDPKAXRYMEIY-ZZXKWVIFSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide 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-hydroxypentyl)prop-2-enamide
CID 115703845
3-(2,5-dichlorophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112873
(E)-3-(2,5-dichlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 104981592
5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid
CID 76931623
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
(E)-N-(3-hydroxypentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 115703620
4-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-3-hydroxy-3-methylbutanoic acid
CID 77110999
(E)-3-(2,5-dichlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107845891
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
CID 103933535

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide (CID 115703465) is (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide is CCC(O)CCNC(=O)/C=C/c1cc(Cl)ccc1Cl.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide?
The InChIKey is LALDPKAXRYMEIY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-2-12(18)7-8-17-14(19)6-3-10-9-11(15)4-5-13(10)16/h3-6,9,12,18H,2,7-8H2,1H3,(H,17,19)/b6-3+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide?
(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide has a molecular weight of 302.20 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide is sourced from PubChem (CID 115703465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).