N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide

C22H25ClFN3O2 — CID 55898377

IUPACN-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C22H25ClFN3O2/c23-18-13-15(24)11-12-20(18)27-22(29)17-9-5-6-10-19(17)25-14-21(28)26-16-7-3-1-2-4-8-16/h5-6,9-13,16,25H,1-4,7-8,14H2,(H,26,28)(H,27,29)
InChIKeyGAEXTNNMCXVCIX-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.98
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide

N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide (PubChem CID 55898377) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide
PubChem CID55898377
Molecular FormulaC22H25ClFN3O2
Molecular Weight417.91 g/mol
Exact Mass417.16
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C22H25ClFN3O2/c23-18-13-15(24)11-12-20(18)27-22(29)17-9-5-6-10-19(17)25-14-21(28)26-16-7-3-1-2-4-8-16/h5-6,9-13,16,25H,1-4,7-8,14H2,(H,26,28)(H,27,29)
InChIKeyGAEXTNNMCXVCIX-UHFFFAOYSA-N
XLogP4.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide
CID 55897221
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide (CID 55898377) is N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide is O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl)NC1CCCCCC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is GAEXTNNMCXVCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O2/c23-18-13-15(24)11-12-20(18)27-22(29)17-9-5-6-10-19(17)25-14-21(28)26-16-7-3-1-2-4-8-16/h5-6,9-13,16,25H,1-4,7-8,14H2,(H,26,28)(H,27,29).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide?
N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 417.91 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55898377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).