5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide

C20H19ClN2O — CID 67556659

IUPAC5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C20H19ClN2O/c21-17-10-11-19(18(12-17)20(22)24)23-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h2,4-12,23H,1,3,13H2,(H2,22,24)
InChIKeyRLQKJSPITIYEAG-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.78
Rot. Bonds5

About 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide

5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide (PubChem CID 67556659) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide
PubChem CID67556659
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C20H19ClN2O/c21-17-10-11-19(18(12-17)20(22)24)23-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h2,4-12,23H,1,3,13H2,(H2,22,24)
InChIKeyRLQKJSPITIYEAG-UHFFFAOYSA-N
XLogP4.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
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5-chloro-2-(2,3-dihydroxypropylamino)benzamide
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5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
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1-cyclohexa-1,5-dien-1-yl-4-(iodomethyl)benzene
CID 70308724
5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide
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CID 18712089

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide?
The IUPAC name of 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide (CID 67556659) is 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide.
What is the SMILES notation for 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide?
The canonical SMILES for 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide is NC(=O)c1cc(Cl)ccc1NCc1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide?
The InChIKey is RLQKJSPITIYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-17-10-11-19(18(12-17)20(22)24)23-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h2,4-12,23H,1,3,13H2,(H2,22,24).
What are the key properties of 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide?
5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide has a molecular weight of 338.84 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide is sourced from PubChem (CID 67556659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).