N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide

C19H20Cl2N2O5 — CID 76870753

IUPACN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
SMILESO=C(C=Cc1ccco1)NCCC(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O5/c20-15-4-1-5-16(19(15)21)28-12-13(24)11-23-18(26)8-9-22-17(25)7-6-14-3-2-10-27-14/h1-7,10,13,24H,8-9,11-12H2,(H,22,25)(H,23,26)
InChIKeyIWZGIWSJBVOJFV-UHFFFAOYSA-N
MW427.28 g/mol
LogP2.66
Rot. Bonds10

About N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide

N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide (PubChem CID 76870753) has the molecular formula C19H20Cl2N2O5 and a molecular weight of 427.28 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
PubChem CID76870753
Molecular FormulaC19H20Cl2N2O5
Molecular Weight427.28 g/mol
Exact Mass426.07
IUPAC NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
SMILESO=C(C=Cc1ccco1)NCCC(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O5/c20-15-4-1-5-16(19(15)21)28-12-13(24)11-23-18(26)8-9-22-17(25)7-6-14-3-2-10-27-14/h1-7,10,13,24H,8-9,11-12H2,(H,22,25)(H,23,26)
InChIKeyIWZGIWSJBVOJFV-UHFFFAOYSA-N
XLogP2.66
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide 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

3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 110906839
N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55919724
N-[3-(difluoromethoxy)phenyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 55742167
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55616568
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 75383403
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55659778
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
CID 71849299

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
The IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide (CID 76870753) is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide.
What is the SMILES notation for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
The canonical SMILES for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide is O=C(C=Cc1ccco1)NCCC(=O)NCC(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
The InChIKey is IWZGIWSJBVOJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O5/c20-15-4-1-5-16(19(15)21)28-12-13(24)11-23-18(26)8-9-22-17(25)7-6-14-3-2-10-27-14/h1-7,10,13,24H,8-9,11-12H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide has a molecular weight of 427.28 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide is sourced from PubChem (CID 76870753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).