2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile

C12H12BrFN2 — CID 107635993

IUPAC2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2cc(F)ccc2Br)CC1
InChIInChI=1S/C12H12BrFN2/c13-10-2-1-9(14)7-11(10)16-8-12(3-4-12)5-6-15/h1-2,7,16H,3-5,8H2
InChIKeyUXEFXFZECRMCDK-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.69
Rot. Bonds4

About 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 107635993) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile
PubChem CID107635993
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2cc(F)ccc2Br)CC1
InChIInChI=1S/C12H12BrFN2/c13-10-2-1-9(14)7-11(10)16-8-12(3-4-12)5-6-15/h1-2,7,16H,3-5,8H2
InChIKeyUXEFXFZECRMCDK-UHFFFAOYSA-N
XLogP3.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-chloro-2-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65479769
2-[1-[(4-bromo-2-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 81292455
2-[1-[(2,3,5,6-tetrafluoroanilino)methyl]cyclopropyl]acetonitrile
CID 107644461
2-[1-[(3,4,5-trifluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65498604
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
CID 65479545
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
5-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzonitrile
CID 79479526
2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65479940
2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65481545
3-[(2-bromo-5-fluoroanilino)methyl]-5-fluorobenzonitrile
CID 107636086
2-[1-[(3-chloro-4-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 83107958
2-[1-[[2-(difluoromethylsulfanyl)anilino]methyl]cyclopropyl]acetonitrile
CID 65481138

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile (CID 107635993) is 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNc2cc(F)ccc2Br)CC1.
What is the InChIKey of 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is UXEFXFZECRMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c13-10-2-1-9(14)7-11(10)16-8-12(3-4-12)5-6-15/h1-2,7,16H,3-5,8H2.
What are the key properties of 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 283.14 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 107635993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).