N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide

C18H12BrF2NO — CID 146022041

IUPACN-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C18H12BrF2NO/c19-15-3-1-2-12-10-13(5-6-14(12)15)22-18(23)9-11-4-7-16(20)17(21)8-11/h1-8,10H,9H2,(H,22,23)
InChIKeyBKAYHVOTDPUGOC-UHFFFAOYSA-N
MW376.20 g/mol
LogP5.06
Rot. Bonds3

About N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide

N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 146022041) has the molecular formula C18H12BrF2NO and a molecular weight of 376.20 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID146022041
Molecular FormulaC18H12BrF2NO
Molecular Weight376.20 g/mol
Exact Mass375.01
IUPAC NameN-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C18H12BrF2NO/c19-15-3-1-2-12-10-13(5-6-14(12)15)22-18(23)9-11-4-7-16(20)17(21)8-11/h1-8,10H,9H2,(H,22,23)
InChIKeyBKAYHVOTDPUGOC-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide
CID 146022091
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
1-(5-bromonaphthalen-2-yl)-3-methylurea
CID 146021922
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-(3-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 113257060
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956631

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide (CID 146022041) is N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is BKAYHVOTDPUGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF2NO/c19-15-3-1-2-12-10-13(5-6-14(12)15)22-18(23)9-11-4-7-16(20)17(21)8-11/h1-8,10H,9H2,(H,22,23).
What are the key properties of N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide?
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 376.20 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 146022041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).