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

C27H28ClN3O3 — CID 54812588

IUPAC2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
SMILESO=C(CNc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H28ClN3O3/c28-25-16-13-21(17-24(25)27(33)31-20-7-3-1-4-8-20)30-26(32)18-29-19-11-14-23(15-12-19)34-22-9-5-2-6-10-22/h2,5-6,9-17,20,29H,1,3-4,7-8,18H2,(H,30,32)(H,31,33)
InChIKeyHODQQMRXKFBLKD-UHFFFAOYSA-N
MW477.99 g/mol
LogP6.25
Rot. Bonds8

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

2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide (PubChem CID 54812588) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
PubChem CID54812588
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
SMILESO=C(CNc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H28ClN3O3/c28-25-16-13-21(17-24(25)27(33)31-20-7-3-1-4-8-20)30-26(32)18-29-19-11-14-23(15-12-19)34-22-9-5-2-6-10-22/h2,5-6,9-17,20,29H,1,3-4,7-8,18H2,(H,30,32)(H,31,33)
InChIKeyHODQQMRXKFBLKD-UHFFFAOYSA-N
XLogP6.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 56.25
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-(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-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide (CID 54812588) is 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide is O=C(CNc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
The InChIKey is HODQQMRXKFBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c28-25-16-13-21(17-24(25)27(33)31-20-7-3-1-4-8-20)30-26(32)18-29-19-11-14-23(15-12-19)34-22-9-5-2-6-10-22/h2,5-6,9-17,20,29H,1,3-4,7-8,18H2,(H,30,32)(H,31,33).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide has a molecular weight of 477.99 g/mol, XLogP of 6.25, 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-phenoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54812588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).