3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide

C16H23BrFNO — CID 139257008

IUPAC3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide
SMILESCC(Cc1ccc(Br)cc1F)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H23BrFNO/c1-10(2)19(11(3)4)16(20)12(5)8-13-6-7-14(17)9-15(13)18/h6-7,9-12H,8H2,1-5H3
InChIKeyHHTOMYZQMQTJEQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.41
Rot. Bonds5

About 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide

3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide (PubChem CID 139257008) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide
PubChem CID139257008
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide
SMILESCC(Cc1ccc(Br)cc1F)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H23BrFNO/c1-10(2)19(11(3)4)16(20)12(5)8-13-6-7-14(17)9-15(13)18/h6-7,9-12H,8H2,1-5H3
InChIKeyHHTOMYZQMQTJEQ-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895802
(2S,3S)-2-amino-3-(4-bromophenyl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 10087948
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928
1-(1-Azepanyl)-2-(4-bromophenyl)ethanone
CID 875268
2-(4-bromophenyl)-N-butyl-N-ethylacetamide
CID 2162219
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
(3R,3aS,7R,7aS)-2-benzyl-3-(4-bromo-2-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746374
2-(4-bromophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877999
2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide
CID 884873
2-(4-bromophenyl)-N-butylacetamide
CID 1728614
2-(4-bromophenyl)-N,N-dimethylacetamide
CID 4631595

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide (CID 139257008) is 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide is CC(Cc1ccc(Br)cc1F)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is HHTOMYZQMQTJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-10(2)19(11(3)4)16(20)12(5)8-13-6-7-14(17)9-15(13)18/h6-7,9-12H,8H2,1-5H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide?
3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 344.27 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2-methyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 139257008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).