2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide

C20H25FN2O2 — CID 18191552

IUPAC2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(CC)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C20H25FN2O2/c1-4-15-7-6-8-17(11-15)22-20(24)14-23(5-2)13-16-9-10-19(25-3)18(21)12-16/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyPBAKDMHSKIRODQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.86
Rot. Bonds8

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

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide (PubChem CID 18191552) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
PubChem CID18191552
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(CC)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C20H25FN2O2/c1-4-15-7-6-8-17(11-15)22-20(24)14-23(5-2)13-16-9-10-19(25-3)18(21)12-16/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyPBAKDMHSKIRODQ-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349258
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349330
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
N,N-diethyl-3-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 8681454
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 24567817
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
CID 9044326
1-(3-ethylphenyl)-3-(3-fluoro-4-methoxyphenyl)thiourea
CID 53364726
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide (CID 18191552) is 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN(CC)Cc2ccc(OC)c(F)c2)c1.
What is the InChIKey of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is PBAKDMHSKIRODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-4-15-7-6-8-17(11-15)22-20(24)14-23(5-2)13-16-9-10-19(25-3)18(21)12-16/h6-12H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide?
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 18191552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).