2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide

C12H14BrFN2O — CID 60995391

IUPAC2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESNC(=O)C(NCC1CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O/c13-9-5-8(3-4-10(9)14)11(12(15)17)16-6-7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)
InChIKeyLZNYYPWNINPTFF-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.11
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide

2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 60995391) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID60995391
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESNC(=O)C(NCC1CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O/c13-9-5-8(3-4-10(9)14)11(12(15)17)16-6-7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)
InChIKeyLZNYYPWNINPTFF-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62119932
2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
2-(cyclopropylmethylamino)-2-(4-cyclopropylphenyl)acetamide
CID 79983972
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
2-(2-bromophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60996640
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide (CID 60995391) is 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide is NC(=O)C(NCC1CC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is LZNYYPWNINPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-5-8(3-4-10(9)14)11(12(15)17)16-6-7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 301.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 60995391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).