3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide

C18H17Cl2NO2 — CID 55875195

IUPAC3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide
SMILESCOc1ccc(Cl)cc1C=CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO2/c1-21(12-13-4-3-5-15(19)10-13)18(22)9-6-14-11-16(20)7-8-17(14)23-2/h3-11H,12H2,1-2H3
InChIKeyRNCFPKVGVPBNLM-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.67
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide

3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide (PubChem CID 55875195) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide
PubChem CID55875195
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide
SMILESCOc1ccc(Cl)cc1C=CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO2/c1-21(12-13-4-3-5-15(19)10-13)18(22)9-6-14-11-16(20)7-8-17(14)23-2/h3-11H,12H2,1-2H3
InChIKeyRNCFPKVGVPBNLM-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.67
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)-3-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268812
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7958598
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
CID 2533542
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 22686650
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
CID 5037434
3-[[3-(2,4-dimethoxyphenyl)prop-2-enoyl-methylamino]methyl]benzamide
CID 55920663
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide (CID 55875195) is 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide is COc1ccc(Cl)cc1C=CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide?
The InChIKey is RNCFPKVGVPBNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-21(12-13-4-3-5-15(19)10-13)18(22)9-6-14-11-16(20)7-8-17(14)23-2/h3-11H,12H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide?
3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide has a molecular weight of 350.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 55875195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).