2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide

C24H30ClN3O3 — CID 54822256

IUPAC2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H30ClN3O3/c1-16(2)31-20-11-8-17(9-12-20)26-15-23(29)27-19-10-13-22(25)21(14-19)24(30)28-18-6-4-3-5-7-18/h8-14,16,18,26H,3-7,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFOJUMVCWDWYYNO-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.24
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide (PubChem CID 54822256) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
PubChem CID54822256
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H30ClN3O3/c1-16(2)31-20-11-8-17(9-12-20)26-15-23(29)27-19-10-13-22(25)21(14-19)24(30)28-18-6-4-3-5-7-18/h8-14,16,18,26H,3-7,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFOJUMVCWDWYYNO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2-chloro-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833128
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-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide (CID 54822256) is 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide is CC(C)Oc1ccc(NCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The InChIKey is FOJUMVCWDWYYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-16(2)31-20-11-8-17(9-12-20)26-15-23(29)27-19-10-13-22(25)21(14-19)24(30)28-18-6-4-3-5-7-18/h8-14,16,18,26H,3-7,15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]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-(4-propan-2-yloxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54822256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).