2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid

C15H17ClN2O2 — CID 62494148

IUPAC2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
SMILESN#Cc1cc(Cl)ccc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H17ClN2O2/c16-12-6-7-13(11(8-12)9-17)18-14(15(19)20)10-4-2-1-3-5-10/h6-8,10,14,18H,1-5H2,(H,19,20)
InChIKeyJNYPQHAKDPZLRQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.66
Rot. Bonds4

About 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid

2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid (PubChem CID 62494148) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
PubChem CID62494148
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
SMILESN#Cc1cc(Cl)ccc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H17ClN2O2/c16-12-6-7-13(11(8-12)9-17)18-14(15(19)20)10-4-2-1-3-5-10/h6-8,10,14,18H,1-5H2,(H,19,20)
InChIKeyJNYPQHAKDPZLRQ-UHFFFAOYSA-N
XLogP3.66
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
CID 107636575
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
5-chloro-2-(cyclopropylamino)benzonitrile
CID 62494157
5-chloro-2-[2-(cycloheptylamino)ethylamino]benzonitrile
CID 115306630
2-(2-bromo-4-cyanoanilino)-2-cyclopropylacetic acid
CID 82797571
4-chloro-2-(1-cyclopentylethylamino)benzonitrile
CID 62632984
2-(4-bromo-2-nitroanilino)-2-cyclohexylacetic acid
CID 63500765
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
5-chloro-2-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 63296830

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid?
The IUPAC name of 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid (CID 62494148) is 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid is N#Cc1cc(Cl)ccc1NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid?
The InChIKey is JNYPQHAKDPZLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-6-7-13(11(8-12)9-17)18-14(15(19)20)10-4-2-1-3-5-10/h6-8,10,14,18H,1-5H2,(H,19,20).
What are the key properties of 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid?
2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid has a molecular weight of 292.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid is sourced from PubChem (CID 62494148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).