2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide

C28H29ClN2O3 — CID 17188525

IUPAC2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C28H29ClN2O3/c29-26-16-13-23(19-25(26)28(33)30-22-9-5-2-6-10-22)31-27(32)21-11-14-24(15-12-21)34-18-17-20-7-3-1-4-8-20/h1,3-4,7-8,11-16,19,22H,2,5-6,9-10,17-18H2,(H,30,33)(H,31,32)
InChIKeyMBMHDKJUXLAESL-UHFFFAOYSA-N
MW477.00 g/mol
LogP6.28
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide (PubChem CID 17188525) has the molecular formula C28H29ClN2O3 and a molecular weight of 477.00 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
PubChem CID17188525
Molecular FormulaC28H29ClN2O3
Molecular Weight477.00 g/mol
Exact Mass476.19
IUPAC Name2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C28H29ClN2O3/c29-26-16-13-23(19-25(26)28(33)30-22-9-5-2-6-10-22)31-27(32)21-11-14-24(15-12-21)34-18-17-20-7-3-1-4-8-20/h1,3-4,7-8,11-16,19,22H,2,5-6,9-10,17-18H2,(H,30,33)(H,31,32)
InChIKeyMBMHDKJUXLAESL-UHFFFAOYSA-N
XLogP6.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.00
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
N-cyclohexyl-4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 28587936
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 17188686
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17188787
2-chloro-N-cyclohexyl-5-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide (CID 17188525) is 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide?
The InChIKey is MBMHDKJUXLAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O3/c29-26-16-13-23(19-25(26)28(33)30-22-9-5-2-6-10-22)31-27(32)21-11-14-24(15-12-21)34-18-17-20-7-3-1-4-8-20/h1,3-4,7-8,11-16,19,22H,2,5-6,9-10,17-18H2,(H,30,33)(H,31,32).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide has a molecular weight of 477.00 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17188525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).