(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile

C16H13Cl2N — CID 11833125

IUPAC(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
SMILESN#CCC[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c17-15-9-8-13(11-16(15)18)14(7-4-10-19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7H2/t14-/m1/s1
InChIKeyLDRKOSRLFWFJSQ-CQSZACIVSA-N
MW290.19 g/mol
LogP5.43
Rot. Bonds4

About (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile

(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile (PubChem CID 11833125) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile.

Molecular Properties

Compound Name(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
PubChem CID11833125
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
SMILESN#CCC[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c17-15-9-8-13(11-16(15)18)14(7-4-10-19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7H2/t14-/m1/s1
InChIKeyLDRKOSRLFWFJSQ-CQSZACIVSA-N
XLogP5.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
4-phenyl-4-quinoxalin-6-ylbutanenitrile
CID 140665023
(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
CID 86705554
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
[3-cyano-1-(3,4-dichlorophenyl)propyl]carbamic acid
CID 154330372
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
2-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 82137373
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
4-iodo-4-phenylbutanenitrile
CID 57240454
4-(2H-indazol-3-yl)-4-phenylbutanenitrile
CID 123384854
(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-phenylbutanenitrile
CID 133421854

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile?
The IUPAC name of (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile (CID 11833125) is (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile.
What is the SMILES notation for (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile?
The canonical SMILES for (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile is N#CCC[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile?
The InChIKey is LDRKOSRLFWFJSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13Cl2N/c17-15-9-8-13(11-16(15)18)14(7-4-10-19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7H2/t14-/m1/s1.
What are the key properties of (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile?
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile has a molecular weight of 290.19 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile is sourced from PubChem (CID 11833125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).