2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide

C19H22FN3O3 — CID 33191747

IUPAC2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2ccccc2C(N)=O)cc1F
InChIInChI=1S/C19H22FN3O3/c1-23(12-13-7-8-17(26-2)15(20)11-13)10-9-18(24)22-16-6-4-3-5-14(16)19(21)25/h3-8,11H,9-10,12H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyDRCFDJDODLQKKJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.39
Rot. Bonds8

About 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide

2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide (PubChem CID 33191747) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
PubChem CID33191747
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2ccccc2C(N)=O)cc1F
InChIInChI=1S/C19H22FN3O3/c1-23(12-13-7-8-17(26-2)15(20)11-13)10-9-18(24)22-16-6-4-3-5-14(16)19(21)25/h3-8,11H,9-10,12H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyDRCFDJDODLQKKJ-UHFFFAOYSA-N
XLogP2.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796586
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121
N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 86843918
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
CID 43703754
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
The IUPAC name of 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide (CID 33191747) is 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide.
What is the SMILES notation for 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
The canonical SMILES for 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide is COc1ccc(CN(C)CCC(=O)Nc2ccccc2C(N)=O)cc1F.
What is the InChIKey of 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
The InChIKey is DRCFDJDODLQKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-23(12-13-7-8-17(26-2)15(20)11-13)10-9-18(24)22-16-6-4-3-5-14(16)19(21)25/h3-8,11H,9-10,12H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide has a molecular weight of 359.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 33191747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).