5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide

C16H14ClN3O — CID 62166224

IUPAC5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H14ClN3O/c1-2-19-15-8-5-12(17)9-14(15)16(21)20-13-6-3-11(10-18)4-7-13/h3-9,19H,2H2,1H3,(H,20,21)
InChIKeyIFCLJAIQHJDUAY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide

5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide (PubChem CID 62166224) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
PubChem CID62166224
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H14ClN3O/c1-2-19-15-8-5-12(17)9-14(15)16(21)20-13-6-3-11(10-18)4-7-13/h3-9,19H,2H2,1H3,(H,20,21)
InChIKeyIFCLJAIQHJDUAY-UHFFFAOYSA-N
XLogP3.90
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
CID 122605265
N-(4-cyanophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81239209
N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
CID 107578576
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide (CID 62166224) is 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide?
The InChIKey is IFCLJAIQHJDUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-19-15-8-5-12(17)9-14(15)16(21)20-13-6-3-11(10-18)4-7-13/h3-9,19H,2H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide?
5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide has a molecular weight of 299.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 62166224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).