2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

C18H17Cl2FN2O3 — CID 31327338

IUPAC2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H17Cl2FN2O3/c1-23(10-11-3-6-16(26-2)15(21)7-11)17(24)9-22-18(25)13-5-4-12(19)8-14(13)20/h3-8H,9-10H2,1-2H3,(H,22,25)
InChIKeySJJZMBXZSDAZBF-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.53
Rot. Bonds6

About 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 31327338) has the molecular formula C18H17Cl2FN2O3 and a molecular weight of 399.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID31327338
Molecular FormulaC18H17Cl2FN2O3
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC Name2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H17Cl2FN2O3/c1-23(10-11-3-6-16(26-2)15(21)7-11)17(24)9-22-18(25)13-5-4-12(19)8-14(13)20/h3-8H,9-10H2,1-2H3,(H,22,25)
InChIKeySJJZMBXZSDAZBF-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489
2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 29469634
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51196023
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
3-(ethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 62835854

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 31327338) is 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is SJJZMBXZSDAZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3/c1-23(10-11-3-6-16(26-2)15(21)7-11)17(24)9-22-18(25)13-5-4-12(19)8-14(13)20/h3-8H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 399.25 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31327338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).