N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide

C18H17Cl2NO2 — CID 4278421

IUPACN-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2NO2/c1-2-9-23-17-6-4-3-5-13(17)7-8-18(22)21-16-11-14(19)10-15(20)12-16/h3-8,10-12H,2,9H2,1H3,(H,21,22)
InChIKeyIXAUARUBTCCXIM-UHFFFAOYSA-N
MW350.25 g/mol
LogP5.43
Rot. Bonds6

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

N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 4278421) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID4278421
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC NameN-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2NO2/c1-2-9-23-17-6-4-3-5-13(17)7-8-18(22)21-16-11-14(19)10-15(20)12-16/h3-8,10-12H,2,9H2,1H3,(H,21,22)
InChIKeyIXAUARUBTCCXIM-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19204245
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 4089230
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
3-(2-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4992698
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide (CID 4278421) is N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is IXAUARUBTCCXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-2-9-23-17-6-4-3-5-13(17)7-8-18(22)21-16-11-14(19)10-15(20)12-16/h3-8,10-12H,2,9H2,1H3,(H,21,22).
What are the key properties of N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 350.25 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4278421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).