2-(3-bromoanilino)-2-phenylacetonitrile

C14H11BrN2 — CID 54887440

IUPAC2-(3-bromoanilino)-2-phenylacetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrN2/c15-12-7-4-8-13(9-12)17-14(10-16)11-5-2-1-3-6-11/h1-9,14,17H
InChIKeyMAKVTNQPMPYGPS-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.13
Rot. Bonds3

About 2-(3-bromoanilino)-2-phenylacetonitrile

2-(3-bromoanilino)-2-phenylacetonitrile (PubChem CID 54887440) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-phenylacetonitrile
PubChem CID54887440
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(3-bromoanilino)-2-phenylacetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrN2/c15-12-7-4-8-13(9-12)17-14(10-16)11-5-2-1-3-6-11/h1-9,14,17H
InChIKeyMAKVTNQPMPYGPS-UHFFFAOYSA-N
XLogP4.13
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-[4-(difluoromethyl)phenyl]acetonitrile
CID 115524433
2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
CID 54887346
2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686152
2-(3-bromoanilino)-2-(3-chloro-4-fluorophenyl)acetonitrile
CID 81145148
2-(3-bromoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile
CID 60990260
2-(3-methylsulfanylanilino)-2-phenylacetonitrile
CID 2732691
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
CID 55234730
5-[(3-bromoanilino)-cyanomethyl]-2-methoxybenzonitrile
CID 65340970
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-phenylacetonitrile?
The IUPAC name of 2-(3-bromoanilino)-2-phenylacetonitrile (CID 54887440) is 2-(3-bromoanilino)-2-phenylacetonitrile.
What is the SMILES notation for 2-(3-bromoanilino)-2-phenylacetonitrile?
The canonical SMILES for 2-(3-bromoanilino)-2-phenylacetonitrile is N#CC(Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromoanilino)-2-phenylacetonitrile?
The InChIKey is MAKVTNQPMPYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-12-7-4-8-13(9-12)17-14(10-16)11-5-2-1-3-6-11/h1-9,14,17H.
What are the key properties of 2-(3-bromoanilino)-2-phenylacetonitrile?
2-(3-bromoanilino)-2-phenylacetonitrile has a molecular weight of 287.16 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-phenylacetonitrile is sourced from PubChem (CID 54887440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).