2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide

C24H30ClN3O3 — CID 54832913

IUPAC2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H30ClN3O3/c1-16(2)31-22-11-7-6-10-21(22)28-23(29)15-26-18-12-13-20(25)19(14-18)24(30)27-17-8-4-3-5-9-17/h6-7,10-14,16-17,26H,3-5,8-9,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZORDRAMGZIYEBE-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.24
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide (PubChem CID 54832913) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
PubChem CID54832913
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H30ClN3O3/c1-16(2)31-22-11-7-6-10-21(22)28-23(29)15-26-18-12-13-20(25)19(14-18)24(30)27-17-8-4-3-5-9-17/h6-7,10-14,16-17,26H,3-5,8-9,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZORDRAMGZIYEBE-UHFFFAOYSA-N
XLogP5.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54833165
2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824326
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide (CID 54832913) is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide is CC(C)Oc1ccccc1NC(=O)CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The InChIKey is ZORDRAMGZIYEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-16(2)31-22-11-7-6-10-21(22)28-23(29)15-26-18-12-13-20(25)19(14-18)24(30)27-17-8-4-3-5-9-17/h6-7,10-14,16-17,26H,3-5,8-9,15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide has a molecular weight of 443.98 g/mol, XLogP of 5.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54832913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).