2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide

C16H14ClN3 — CID 134101124

IUPAC2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-20(2)13-9-7-12(8-10-13)19-16(11-18)14-5-3-4-6-15(14)17/h3-10H,1-2H3/b19-16+
InChIKeyKEWMHEVICFQGST-KNTRCKAVSA-N
MW283.76 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide

2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide (PubChem CID 134101124) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
PubChem CID134101124
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-20(2)13-9-7-12(8-10-13)19-16(11-18)14-5-3-4-6-15(14)17/h3-10H,1-2H3/b19-16+
InChIKeyKEWMHEVICFQGST-KNTRCKAVSA-N
XLogP4.05
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
CID 101125185
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
CID 12619979
2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500431
2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500432
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide
CID 88798246
N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
CID 45261151
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
N,N-dimethyl-4-(1,1,1-trifluorobut-3-yn-2-ylideneamino)aniline
CID 166438280
CID 19881371
CID 19881371
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
2-[(2-chlorophenyl)-methoxymethylidene]propanedinitrile
CID 22308706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide (CID 134101124) is 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide is CN(C)c1ccc(/N=C(\C#N)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide?
The InChIKey is KEWMHEVICFQGST-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-20(2)13-9-7-12(8-10-13)19-16(11-18)14-5-3-4-6-15(14)17/h3-10H,1-2H3/b19-16+.
What are the key properties of 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide?
2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide has a molecular weight of 283.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide is sourced from PubChem (CID 134101124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).