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

C22H23ClFN3O2 — CID 55897221

IUPACN-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl)NC(C1CC1)C1CC1
InChIInChI=1S/C22H23ClFN3O2/c23-17-11-15(24)9-10-19(17)26-22(29)16-3-1-2-4-18(16)25-12-20(28)27-21(13-5-6-13)14-7-8-14/h1-4,9-11,13-14,21,25H,5-8,12H2,(H,26,29)(H,27,28)
InChIKeyJOELKMDEGPPAFI-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.45
Rot. Bonds8

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

N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 55897221) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide
PubChem CID55897221
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl)NC(C1CC1)C1CC1
InChIInChI=1S/C22H23ClFN3O2/c23-17-11-15(24)9-10-19(17)26-22(29)16-3-1-2-4-18(16)25-12-20(28)27-21(13-5-6-13)14-7-8-14/h1-4,9-11,13-14,21,25H,5-8,12H2,(H,26,29)(H,27,28)
InChIKeyJOELKMDEGPPAFI-UHFFFAOYSA-N
XLogP4.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide
CID 55898377
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CID 55345757
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106367
2-benzyl-N-(2-chloro-4-fluorophenyl)benzamide
CID 26364255
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
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CID 43404197
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 62166687
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide (CID 55897221) is N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide is O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl)NC(C1CC1)C1CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is JOELKMDEGPPAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c23-17-11-15(24)9-10-19(17)26-22(29)16-3-1-2-4-18(16)25-12-20(28)27-21(13-5-6-13)14-7-8-14/h1-4,9-11,13-14,21,25H,5-8,12H2,(H,26,29)(H,27,28).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide?
N-(2-chloro-4-fluorophenyl)-2-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 415.90 g/mol, XLogP of 4.45, 8 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-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55897221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).