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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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119789746
2-chloro-1-[3-(difluoromethyl)-2-methylphenyl]propan-1-one
CID 131415290
N-[1-(2,6-difluorophenyl)ethyl]acetamide;N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide;molecular hydrogen
CID 164599176
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
N-[[3-(difluoromethyl)-2-methylphenyl]methyl]prop-1-en-2-amine
CID 166548662
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603

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).