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

C18H18BrFN2O2 — CID 113119208

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Br)Cc1ccccc1F
InChIInChI=1S/C18H18BrFN2O2/c1-13(23)22(12-14-6-2-4-8-16(14)20)11-10-18(24)21-17-9-5-3-7-15(17)19/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyWRXUZVRGGQBIEQ-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.97
Rot. Bonds6

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

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide (PubChem CID 113119208) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
PubChem CID113119208
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Br)Cc1ccccc1F
InChIInChI=1S/C18H18BrFN2O2/c1-13(23)22(12-14-6-2-4-8-16(14)20)11-10-18(24)21-17-9-5-3-7-15(17)19/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyWRXUZVRGGQBIEQ-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113119233
2-(N-acetyl-2,6-difluoroanilino)-N-(2-bromophenyl)acetamide
CID 113181523
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide (CID 113119208) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1Br)Cc1ccccc1F.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide?
The InChIKey is WRXUZVRGGQBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-13(23)22(12-14-6-2-4-8-16(14)20)11-10-18(24)21-17-9-5-3-7-15(17)19/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide has a molecular weight of 393.26 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide is sourced from PubChem (CID 113119208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).