4-chloro-2-(decylamino)benzonitrile

C17H25ClN2 — CID 64919418

IUPAC4-chloro-2-(decylamino)benzonitrile
SMILESCCCCCCCCCCNc1cc(Cl)ccc1C#N
InChIInChI=1S/C17H25ClN2/c1-2-3-4-5-6-7-8-9-12-20-17-13-16(18)11-10-15(17)14-19/h10-11,13,20H,2-9,12H2,1H3
InChIKeyQDLUIBXHFKVLGC-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.76
Rot. Bonds10

About 4-chloro-2-(decylamino)benzonitrile

4-chloro-2-(decylamino)benzonitrile (PubChem CID 64919418) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-chloro-2-(decylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(decylamino)benzonitrile
PubChem CID64919418
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name4-chloro-2-(decylamino)benzonitrile
SMILESCCCCCCCCCCNc1cc(Cl)ccc1C#N
InChIInChI=1S/C17H25ClN2/c1-2-3-4-5-6-7-8-9-12-20-17-13-16(18)11-10-15(17)14-19/h10-11,13,20H,2-9,12H2,1H3
InChIKeyQDLUIBXHFKVLGC-UHFFFAOYSA-N
XLogP5.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-chloro-2-(2-propylsulfonylethylamino)benzonitrile
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4-chloro-2-(3-cyclopropylpropylamino)benzonitrile
CID 115637534
5-chloro-N-hexyl-2-nitroaniline
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2,4-dichloro-N-decylaniline
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4-chloro-2-fluoro-N-heptylaniline
CID 43716552
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
5-(5-chloro-2-cyanoanilino)-2-methylpentanoic acid
CID 113440744
2-chloro-4-(pentylamino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(decylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(decylamino)benzonitrile (CID 64919418) is 4-chloro-2-(decylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(decylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(decylamino)benzonitrile is CCCCCCCCCCNc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-(decylamino)benzonitrile?
The InChIKey is QDLUIBXHFKVLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-3-4-5-6-7-8-9-12-20-17-13-16(18)11-10-15(17)14-19/h10-11,13,20H,2-9,12H2,1H3.
What are the key properties of 4-chloro-2-(decylamino)benzonitrile?
4-chloro-2-(decylamino)benzonitrile has a molecular weight of 292.85 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(decylamino)benzonitrile is sourced from PubChem (CID 64919418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).