N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

C18H21FN2O3 — CID 18078741

IUPACN-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2ccccc2F)cc(OC)c1
InChIInChI=1S/C18H21FN2O3/c1-21(11-13-6-4-5-7-17(13)19)12-18(22)20-14-8-15(23-2)10-16(9-14)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyKCCVLKIJDDHQAP-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.91
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 18078741) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID18078741
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2ccccc2F)cc(OC)c1
InChIInChI=1S/C18H21FN2O3/c1-21(11-13-6-4-5-7-17(13)19)12-18(22)20-14-8-15(23-2)10-16(9-14)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyKCCVLKIJDDHQAP-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
CID 86861767
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60514415
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 18078741) is N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is COc1cc(NC(=O)CN(C)Cc2ccccc2F)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is KCCVLKIJDDHQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-21(11-13-6-4-5-7-17(13)19)12-18(22)20-14-8-15(23-2)10-16(9-14)24-3/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 18078741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).