N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide

C16H18F6N2O — CID 56890004

IUPACN-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide
SMILESCC(C)N[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C16H18F6N2O/c1-8(2)23-12-5-6-13(12)24-14(25)10-4-3-9(15(17,18)19)7-11(10)16(20,21)22/h3-4,7-8,12-13,23H,5-6H2,1-2H3,(H,24,25)/t12-,13+/m1/s1
InChIKeyONTIXTDXMYUNIF-OLZOCXBDSA-N
MW368.32 g/mol
LogP3.98
Rot. Bonds4

About N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide

N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide (PubChem CID 56890004) has the molecular formula C16H18F6N2O and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide
PubChem CID56890004
Molecular FormulaC16H18F6N2O
Molecular Weight368.32 g/mol
Exact Mass368.13
IUPAC NameN-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide
SMILESCC(C)N[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C16H18F6N2O/c1-8(2)23-12-5-6-13(12)24-14(25)10-4-3-9(15(17,18)19)7-11(10)16(20,21)22/h3-4,7-8,12-13,23H,5-6H2,1-2H3,(H,24,25)/t12-,13+/m1/s1
InChIKeyONTIXTDXMYUNIF-OLZOCXBDSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide (CID 56890004) is N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide is CC(C)N[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is ONTIXTDXMYUNIF-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H18F6N2O/c1-8(2)23-12-5-6-13(12)24-14(25)10-4-3-9(15(17,18)19)7-11(10)16(20,21)22/h3-4,7-8,12-13,23H,5-6H2,1-2H3,(H,24,25)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide?
N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 368.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(propan-2-ylamino)cyclobutyl]-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 56890004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).