(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide

C19H18ClF2NO2 — CID 51135382

IUPAC(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide
SMILESC/C(=C/C(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H18ClF2NO2/c1-13(16-5-3-4-6-17(16)20)11-18(24)23(2)12-14-7-9-15(10-8-14)25-19(21)22/h3-11,19H,12H2,1-2H3/b13-11-
InChIKeyWPYBGMOOSWGSDD-QBFSEMIESA-N
MW365.81 g/mol
LogP5.00
Rot. Bonds6

About (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide

(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide (PubChem CID 51135382) has the molecular formula C19H18ClF2NO2 and a molecular weight of 365.81 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide
PubChem CID51135382
Molecular FormulaC19H18ClF2NO2
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide
SMILESC/C(=C/C(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H18ClF2NO2/c1-13(16-5-3-4-6-17(16)20)11-18(24)23(2)12-14-7-9-15(10-8-14)25-19(21)22/h3-11,19H,12H2,1-2H3/b13-11-
InChIKeyWPYBGMOOSWGSDD-QBFSEMIESA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.81
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 15983558
6-(2-Chloro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082665
2-chloro-N-(4-methoxybenzyl)benzamide
CID 668836
N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 2516084
(E)-N-(4-chlorobenzyl)-3-[4-(3-fluoropropoxy)phenyl]-2-propenamide
CID 5905780
N-(2-chlorophenethyl)-4-(trifluoromethoxy)benzamide
CID 44447639
2-[(2-chloro-6-fluorobenzyl)thio]-N-(4-methoxybenzyl)acetamide
CID 2233748
(3S,5S)-5-(2-chloro-6-methoxyphenyl)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69081713
6-(2,6-Dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69081928
2-[(2-chlorobenzyl)thio]-N-(4-methoxybenzyl)acetamide
CID 774276
(E)-N-(3-chlorobenzyl)-3-[4-(3-fluoropropoxy)phenyl]-2-propenamide
CID 5870219
2-(2-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 44535995

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide?
The IUPAC name of (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide (CID 51135382) is (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide is C/C(=C/C(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide?
The InChIKey is WPYBGMOOSWGSDD-QBFSEMIESA-N. The full InChI is InChI=1S/C19H18ClF2NO2/c1-13(16-5-3-4-6-17(16)20)11-18(24)23(2)12-14-7-9-15(10-8-14)25-19(21)22/h3-11,19H,12H2,1-2H3/b13-11-.
What are the key properties of (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide?
(Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide has a molecular weight of 365.81 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbut-2-enamide is sourced from PubChem (CID 51135382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).