2-(benzylamino)-4-chlorobenzonitrile

C14H11ClN2 — CID 43681577

IUPAC2-(benzylamino)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1NCc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKeyPIAZBFBIMPNJHL-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.82
Rot. Bonds3

About 2-(benzylamino)-4-chlorobenzonitrile

2-(benzylamino)-4-chlorobenzonitrile (PubChem CID 43681577) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(benzylamino)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(benzylamino)-4-chlorobenzonitrile
PubChem CID43681577
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(benzylamino)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1NCc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKeyPIAZBFBIMPNJHL-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-aminophenyl)methylamino]-4-chlorobenzonitrile
CID 63083140
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
2-(benzylamino)-4-bromobenzonitrile
CID 24903092
4-chloro-2-[(4-methylsulfonylphenyl)methylamino]benzonitrile
CID 63083815
4-chloro-2-[[3-(cyanomethoxy)phenyl]methylamino]benzonitrile
CID 43780518
2-[(5-chloro-2-cyanoanilino)methyl]benzoic acid
CID 103252963
4-chloro-2-[(4-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780519
2-(benzylamino)-4-(trifluoromethyl)benzonitrile
CID 155452882
2-[(5-bromothiophen-3-yl)methylamino]-4-chlorobenzonitrile
CID 43681682
4-chloro-2-(thiophen-2-ylmethylamino)benzonitrile
CID 43681526
4-chloro-2-[(5-fluoro-3-pyridinyl)methylamino]benzonitrile
CID 114084238
4-chloro-2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61319496

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-chlorobenzonitrile?
The IUPAC name of 2-(benzylamino)-4-chlorobenzonitrile (CID 43681577) is 2-(benzylamino)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(benzylamino)-4-chlorobenzonitrile?
The canonical SMILES for 2-(benzylamino)-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-chlorobenzonitrile?
The InChIKey is PIAZBFBIMPNJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2.
What are the key properties of 2-(benzylamino)-4-chlorobenzonitrile?
2-(benzylamino)-4-chlorobenzonitrile has a molecular weight of 242.71 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-chlorobenzonitrile is sourced from PubChem (CID 43681577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).