N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide

C16H20F6N2O — CID 52585751

IUPACN-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F6N2O/c1-4-24(5-2)10(3)9-23-14(25)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h6-8,10H,4-5,9H2,1-3H3,(H,23,25)/t10-/m0/s1
InChIKeyBTVSIMFTNFWNNK-JTQLQIEISA-N
MW370.34 g/mol
LogP4.18
Rot. Bonds6

About N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide

N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 52585751) has the molecular formula C16H20F6N2O and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID52585751
Molecular FormulaC16H20F6N2O
Molecular Weight370.34 g/mol
Exact Mass370.15
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F6N2O/c1-4-24(5-2)10(3)9-23-14(25)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h6-8,10H,4-5,9H2,1-3H3,(H,23,25)/t10-/m0/s1
InChIKeyBTVSIMFTNFWNNK-JTQLQIEISA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide (CID 52585751) is N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is BTVSIMFTNFWNNK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20F6N2O/c1-4-24(5-2)10(3)9-23-14(25)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h6-8,10H,4-5,9H2,1-3H3,(H,23,25)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 370.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 52585751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).