2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide

C26H31ClN4O3 — CID 54833165

IUPAC2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
SMILESCc1c(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C26H31ClN4O3/c1-16-22(8-5-9-23(16)31-25(33)17-10-11-17)30-24(32)15-28-19-12-13-21(27)20(14-19)26(34)29-18-6-3-2-4-7-18/h5,8-9,12-14,17-18,28H,2-4,6-7,10-11,15H2,1H3,(H,29,34)(H,30,32)(H,31,33)
InChIKeyGWVPOLQGLOYTFV-UHFFFAOYSA-N
MW483.01 g/mol
LogP5.11
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide (PubChem CID 54833165) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
PubChem CID54833165
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
SMILESCc1c(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C26H31ClN4O3/c1-16-22(8-5-9-23(16)31-25(33)17-10-11-17)30-24(32)15-28-19-12-13-21(27)20(14-19)26(34)29-18-6-3-2-4-7-18/h5,8-9,12-14,17-18,28H,2-4,6-7,10-11,15H2,1H3,(H,29,34)(H,30,32)(H,31,33)
InChIKeyGWVPOLQGLOYTFV-UHFFFAOYSA-N
XLogP5.11
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996
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-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
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-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
5-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833251
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide (CID 54833165) is 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide is Cc1c(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cccc1NC(=O)C1CC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
The InChIKey is GWVPOLQGLOYTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-16-22(8-5-9-23(16)31-25(33)17-10-11-17)30-24(32)15-28-19-12-13-21(27)20(14-19)26(34)29-18-6-3-2-4-7-18/h5,8-9,12-14,17-18,28H,2-4,6-7,10-11,15H2,1H3,(H,29,34)(H,30,32)(H,31,33).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide has a molecular weight of 483.01 g/mol, XLogP of 5.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54833165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).