4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide

C22H26F2N2O2 — CID 84958314

IUPAC4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H26F2N2O2/c1-14(18-10-9-17(23)13-19(18)24)26-20(27)11-12-25-21(28)15-5-7-16(8-6-15)22(2,3)4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyWEOXRJDDFKFYAX-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.26
Rot. Bonds6

About 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 84958314) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
PubChem CID84958314
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H26F2N2O2/c1-14(18-10-9-17(23)13-19(18)24)26-20(27)11-12-25-21(28)15-5-7-16(8-6-15)22(2,3)4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyWEOXRJDDFKFYAX-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858789
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
4-tert-butyl-N-[3-[[(1R)-1-(5-chloro-2-pyridinyl)ethyl]amino]-3-oxopropyl]benzamide
CID 100685171
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide (CID 84958314) is 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide is CC(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1F.
What is the InChIKey of 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is WEOXRJDDFKFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-14(18-10-9-17(23)13-19(18)24)26-20(27)11-12-25-21(28)15-5-7-16(8-6-15)22(2,3)4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 388.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 84958314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).