N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide

C18H17Cl2NO2 — CID 21367878

IUPACN-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC
InChIInChI=1S/C18H17Cl2NO2/c1-3-4-12-9-13(6-8-17(12)23-2)18(22)21-11-14-5-7-15(19)10-16(14)20/h3,5-10H,1,4,11H2,2H3,(H,21,22)
InChIKeyAJEINCQBILDHIE-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.66
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide

N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 21367878) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
PubChem CID21367878
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC
InChIInChI=1S/C18H17Cl2NO2/c1-3-4-12-9-13(6-8-17(12)23-2)18(22)21-11-14-5-7-15(19)10-16(14)20/h3,5-10H,1,4,11H2,2H3,(H,21,22)
InChIKeyAJEINCQBILDHIE-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21367438
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21173960
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide
CID 54785453
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide (CID 21367878) is N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is AJEINCQBILDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-3-4-12-9-13(6-8-17(12)23-2)18(22)21-11-14-5-7-15(19)10-16(14)20/h3,5-10H,1,4,11H2,2H3,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 350.25 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 21367878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).