N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide

C19H21FN2O4 — CID 18196329

IUPACN-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O4/c1-22(11-13-4-9-17(26-3)16(20)10-13)12-18(23)21-19(24)14-5-7-15(25-2)8-6-14/h4-10H,11-12H2,1-3H3,(H,21,23,24)
InChIKeyIRTNVQQVRJOURD-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.23
Rot. Bonds7

About N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide

N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide (PubChem CID 18196329) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
PubChem CID18196329
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O4/c1-22(11-13-4-9-17(26-3)16(20)10-13)12-18(23)21-19(24)14-5-7-15(25-2)8-6-14/h4-10H,11-12H2,1-3H3,(H,21,23,24)
InChIKeyIRTNVQQVRJOURD-UHFFFAOYSA-N
XLogP2.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
propan-2-yl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9432650
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 18094312
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 18144096
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432639
N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 17395658
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide (CID 18196329) is N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
The InChIKey is IRTNVQQVRJOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-22(11-13-4-9-17(26-3)16(20)10-13)12-18(23)21-19(24)14-5-7-15(25-2)8-6-14/h4-10H,11-12H2,1-3H3,(H,21,23,24).
What are the key properties of N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide is sourced from PubChem (CID 18196329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).