2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide

C23H30F3N3O2 — CID 139470230

IUPAC2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN(CC)CCC[C@@H](C)Nc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H30F3N3O2/c1-4-29(5-2)16-8-9-17(3)27-21-11-7-6-10-20(21)22(30)28-18-12-14-19(15-13-18)31-23(24,25)26/h6-7,10-15,17,27H,4-5,8-9,16H2,1-3H3,(H,28,30)/t17-/m1/s1
InChIKeyGYNKBIZJQNDMGT-QGZVFWFLSA-N
MW437.51 g/mol
LogP5.76
Rot. Bonds11

About 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide

2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 139470230) has the molecular formula C23H30F3N3O2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID139470230
Molecular FormulaC23H30F3N3O2
Molecular Weight437.51 g/mol
Exact Mass437.23
IUPAC Name2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN(CC)CCC[C@@H](C)Nc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H30F3N3O2/c1-4-29(5-2)16-8-9-17(3)27-21-11-7-6-10-20(21)22(30)28-18-12-14-19(15-13-18)31-23(24,25)26/h6-7,10-15,17,27H,4-5,8-9,16H2,1-3H3,(H,28,30)/t17-/m1/s1
InChIKeyGYNKBIZJQNDMGT-QGZVFWFLSA-N
XLogP5.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
CID 58173013
2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 162613166
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 46097293
5-bromo-2-[5-(diethylamino)pentan-2-ylamino]benzoic acid
CID 114895437
methyl 2-(hexan-2-ylamino)benzoate
CID 43774536
1-[(2S)-5-(diethylamino)pentan-2-yl]-3-[4-(difluoromethoxy)phenyl]thiourea
CID 7775054
2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 4845915
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 110998758
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 139470230) is 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide is CCN(CC)CCC[C@@H](C)Nc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GYNKBIZJQNDMGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30F3N3O2/c1-4-29(5-2)16-8-9-17(3)27-21-11-7-6-10-20(21)22(30)28-18-12-14-19(15-13-18)31-23(24,25)26/h6-7,10-15,17,27H,4-5,8-9,16H2,1-3H3,(H,28,30)/t17-/m1/s1.
What are the key properties of 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 437.51 g/mol, XLogP of 5.76, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 139470230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).