2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide

C24H30ClN3O2 — CID 60539246

IUPAC2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESCc1ccccc1CNC(=O)CNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C24H30ClN3O2/c1-17-8-6-7-9-18(17)15-27-23(29)16-26-19-12-13-21(22(25)14-19)24(30)28(2)20-10-4-3-5-11-20/h6-9,12-14,20,26H,3-5,10-11,15-16H2,1-2H3,(H,27,29)
InChIKeyOTFAKJQDXDFQPS-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.78
Rot. Bonds7

About 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide

2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 60539246) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
PubChem CID60539246
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESCc1ccccc1CNC(=O)CNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C24H30ClN3O2/c1-17-8-6-7-9-18(17)15-27-23(29)16-26-19-12-13-21(22(25)14-19)24(30)28(2)20-10-4-3-5-11-20/h6-9,12-14,20,26H,3-5,10-11,15-16H2,1-2H3,(H,27,29)
InChIKeyOTFAKJQDXDFQPS-UHFFFAOYSA-N
XLogP4.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 55918446
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
2-chloro-N-cyclohexyl-N-methyl-4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]benzamide
CID 86883249
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 55917418
2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119717898
4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide
CID 52665658
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide (CID 60539246) is 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide is Cc1ccccc1CNC(=O)CNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is OTFAKJQDXDFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17-8-6-7-9-18(17)15-27-23(29)16-26-19-12-13-21(22(25)14-19)24(30)28(2)20-10-4-3-5-11-20/h6-9,12-14,20,26H,3-5,10-11,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 427.98 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 60539246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).