4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide

C19H19ClF2N2O3 — CID 146477431

IUPAC4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide
SMILESC=C(CN)COc1c(F)cc(C(=O)Nc2ccc(COC)cc2Cl)cc1F
InChIInChI=1S/C19H19ClF2N2O3/c1-11(8-23)9-27-18-15(21)6-13(7-16(18)22)19(25)24-17-4-3-12(10-26-2)5-14(17)20/h3-7H,1,8-10,23H2,2H3,(H,24,25)
InChIKeySGDJRJSUUBJADW-UHFFFAOYSA-N
MW396.82 g/mol
LogP3.91
Rot. Bonds8

About 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide

4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide (PubChem CID 146477431) has the molecular formula C19H19ClF2N2O3 and a molecular weight of 396.82 g/mol. Its IUPAC name is 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide
PubChem CID146477431
Molecular FormulaC19H19ClF2N2O3
Molecular Weight396.82 g/mol
Exact Mass396.11
IUPAC Name4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide
SMILESC=C(CN)COc1c(F)cc(C(=O)Nc2ccc(COC)cc2Cl)cc1F
InChIInChI=1S/C19H19ClF2N2O3/c1-11(8-23)9-27-18-15(21)6-13(7-16(18)22)19(25)24-17-4-3-12(10-26-2)5-14(17)20/h3-7H,1,8-10,23H2,2H3,(H,24,25)
InChIKeySGDJRJSUUBJADW-UHFFFAOYSA-N
XLogP3.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-2-methylbenzamide
CID 146477342
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064694
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588489
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
CID 107702112
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide?
The IUPAC name of 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide (CID 146477431) is 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide?
The canonical SMILES for 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide is C=C(CN)COc1c(F)cc(C(=O)Nc2ccc(COC)cc2Cl)cc1F.
What is the InChIKey of 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide?
The InChIKey is SGDJRJSUUBJADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O3/c1-11(8-23)9-27-18-15(21)6-13(7-16(18)22)19(25)24-17-4-3-12(10-26-2)5-14(17)20/h3-7H,1,8-10,23H2,2H3,(H,24,25).
What are the key properties of 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide?
4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide has a molecular weight of 396.82 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 146477431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).