(E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide

C18H17Cl2NO2 — CID 57401497

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccc(C(O)CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-12-2-6-14(7-3-12)17(22)11-21-18(23)9-5-13-4-8-15(19)16(20)10-13/h2-10,17,22H,11H2,1H3,(H,21,23)/b9-5+
InChIKeyAMNZZXVPVQXDDQ-WEVVVXLNSA-N
MW350.25 g/mol
LogP4.16
Rot. Bonds5

About (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide (PubChem CID 57401497) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide
PubChem CID57401497
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccc(C(O)CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-12-2-6-14(7-3-12)17(22)11-21-18(23)9-5-13-4-8-15(19)16(20)10-13/h2-10,17,22H,11H2,1H3,(H,21,23)/b9-5+
InChIKeyAMNZZXVPVQXDDQ-WEVVVXLNSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-{2-(4-{(E)-2-Carbomethoxyethenyl}phenyl)-1-methylethyl}-2-hydroxy-2-(3-chlorophenyl)ethanamine
CID 20556100
Methyl 4-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]propyl]benzoate
CID 44522669
N-{3-(4-{(E)-2-Carbomethoxyethenyl}phenyl)-1-methylpropyl}-2-hydroxy-2-(3-chlorophenyl) ethanamine
CID 44522672
2-(Benzylamino)-1-(3,4-dichlorophenyl)ethan-1-ol
CID 70463218
2-[(3,4-Dichlorobenzyl)amino]-1-phenyl-1-propanol
CID 11948814
1-(3,4-Dichlorophenyl)-2-(octylamino)ethanol hydrochloride
CID 24182042
2-(Cyclohexylamino)-1-(3,4-dichlorophenyl)ethanol
CID 44522001
(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
CID 44522710
1-(3,4-Dichlorophenyl)-2-[6-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]hexylamino]ethanol;hydrochloride
CID 44537011
2-[(3,4-Dichlorobenzyl)amino]-1-phenylethanol hydrochloride
CID 2978837
(E)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylprop-2-enamide
CID 145954649
(E)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylprop-2-enamide
CID 145972885

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide (CID 57401497) is (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide is Cc1ccc(C(O)CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is AMNZZXVPVQXDDQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-12-2-6-14(7-3-12)17(22)11-21-18(23)9-5-13-4-8-15(19)16(20)10-13/h2-10,17,22H,11H2,1H3,(H,21,23)/b9-5+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 350.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 57401497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).