N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide

C14H19F2NO — CID 177158170

IUPACN-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide
SMILESCc1c(C(F)F)cccc1[C@@H](C)NC(=O)C(C)C
InChIInChI=1S/C14H19F2NO/c1-8(2)14(18)17-10(4)11-6-5-7-12(9(11)3)13(15)16/h5-8,10,13H,1-4H3,(H,17,18)/t10-/m1/s1
InChIKeyGRNRHMXCUBCPDO-SNVBAGLBSA-N
MW255.31 g/mol
LogP3.77
Rot. Bonds4

About N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide

N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide (PubChem CID 177158170) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide
PubChem CID177158170
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide
SMILESCc1c(C(F)F)cccc1[C@@H](C)NC(=O)C(C)C
InChIInChI=1S/C14H19F2NO/c1-8(2)14(18)17-10(4)11-6-5-7-12(9(11)3)13(15)16/h5-8,10,13H,1-4H3,(H,17,18)/t10-/m1/s1
InChIKeyGRNRHMXCUBCPDO-SNVBAGLBSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide (CID 177158170) is N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide is Cc1c(C(F)F)cccc1[C@@H](C)NC(=O)C(C)C.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide?
The InChIKey is GRNRHMXCUBCPDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-8(2)14(18)17-10(4)11-6-5-7-12(9(11)3)13(15)16/h5-8,10,13H,1-4H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide?
N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide has a molecular weight of 255.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 177158170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).