N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide

C21H25ClFN3O3 — CID 9044326

IUPACN-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C21H25ClFN3O3/c1-4-26(12-15-8-9-19(29-3)17(23)10-15)13-21(28)24-11-20(27)25-18-7-5-6-16(22)14(18)2/h5-10H,4,11-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGCDQDYYUEULYRL-UHFFFAOYSA-N
MW421.90 g/mol
LogP3.37
Rot. Bonds9

About N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide (PubChem CID 9044326) has the molecular formula C21H25ClFN3O3 and a molecular weight of 421.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
PubChem CID9044326
Molecular FormulaC21H25ClFN3O3
Molecular Weight421.90 g/mol
Exact Mass421.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C21H25ClFN3O3/c1-4-26(12-15-8-9-19(29-3)17(23)10-15)13-21(28)24-11-20(27)25-18-7-5-6-16(22)14(18)2/h5-10H,4,11-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGCDQDYYUEULYRL-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide with MolForge

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Related Compounds

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9039378
methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349330
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 86843918
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 24567817
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide (CID 9044326) is N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide is CCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide?
The InChIKey is GCDQDYYUEULYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O3/c1-4-26(12-15-8-9-19(29-3)17(23)10-15)13-21(28)24-11-20(27)25-18-7-5-6-16(22)14(18)2/h5-10H,4,11-13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide has a molecular weight of 421.90 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 9044326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).