3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide

C19H21FN2O3 — CID 113119801

IUPAC3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
SMILESCOc1ccccc1CN(CCC(=O)Nc1ccccc1F)C(C)=O
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(13-15-7-3-6-10-18(15)25-2)12-11-19(24)21-17-9-5-4-8-16(17)20/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyHMYDTFMCBDMWBT-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.21
Rot. Bonds7

About 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide (PubChem CID 113119801) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
PubChem CID113119801
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
SMILESCOc1ccccc1CN(CCC(=O)Nc1ccccc1F)C(C)=O
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(13-15-7-3-6-10-18(15)25-2)12-11-19(24)21-17-9-5-4-8-16(17)20/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyHMYDTFMCBDMWBT-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide (CID 113119801) is 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide is COc1ccccc1CN(CCC(=O)Nc1ccccc1F)C(C)=O.
What is the InChIKey of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
The InChIKey is HMYDTFMCBDMWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14(23)22(13-15-7-3-6-10-18(15)25-2)12-11-19(24)21-17-9-5-4-8-16(17)20/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide has a molecular weight of 344.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113119801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).