N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide

C17H16BrFN2O2 — CID 60621107

IUPACN-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C17H16BrFN2O2/c1-11(22)20-15-7-6-13(18)10-16(15)21-17(23)8-5-12-3-2-4-14(19)9-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyHIUDNNHVDNUWOW-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.12
Rot. Bonds5

About N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide

N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide (PubChem CID 60621107) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
PubChem CID60621107
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C17H16BrFN2O2/c1-11(22)20-15-7-6-13(18)10-16(15)21-17(23)8-5-12-3-2-4-14(19)9-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyHIUDNNHVDNUWOW-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 127122015
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3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
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2-[3-(3-fluorophenyl)propanoylamino]benzamide
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3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
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3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
N-(2-acetamido-5-fluorophenyl)-2-phenylacetamide
CID 113092954
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide
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3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide (CID 60621107) is N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide is CC(=O)Nc1ccc(Br)cc1NC(=O)CCc1cccc(F)c1.
What is the InChIKey of N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide?
The InChIKey is HIUDNNHVDNUWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-11(22)20-15-7-6-13(18)10-16(15)21-17(23)8-5-12-3-2-4-14(19)9-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide?
N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide has a molecular weight of 379.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 60621107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).