(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile

C14H10Cl2N2 — CID 6925339

IUPAC(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
SMILESN#C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H10Cl2N2/c15-11-6-12(16)8-13(7-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H/t14-/m1/s1
InChIKeyBEMWWQWEHGUKEN-CQSZACIVSA-N
MW277.15 g/mol
LogP4.67
Rot. Bonds3

About (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile

(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile (PubChem CID 6925339) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
PubChem CID6925339
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
SMILESN#C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H10Cl2N2/c15-11-6-12(16)8-13(7-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H/t14-/m1/s1
InChIKeyBEMWWQWEHGUKEN-CQSZACIVSA-N
XLogP4.67
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
CID 54886328
2-(3-fluoro-5-methylanilino)-2-phenylacetonitrile
CID 79055050
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-(3-bromoanilino)-2-phenylacetonitrile
CID 54887440
2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
CID 54887017
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
2-(3-methylsulfanylanilino)-2-phenylacetonitrile
CID 2732691
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
CID 6925354
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile?
The IUPAC name of (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile (CID 6925339) is (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile is N#C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile?
The InChIKey is BEMWWQWEHGUKEN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-11-6-12(16)8-13(7-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H/t14-/m1/s1.
What are the key properties of (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile?
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile is sourced from PubChem (CID 6925339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).