(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide

C14H19F2NO2 — CID 94018114

IUPAC(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO2/c1-3-10(2)13(18)17-9-8-11-4-6-12(7-5-11)19-14(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyFJHRERBLQLRNGB-JTQLQIEISA-N
MW271.31 g/mol
LogP2.99
Rot. Bonds7

About (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide

(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide (PubChem CID 94018114) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
PubChem CID94018114
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO2/c1-3-10(2)13(18)17-9-8-11-4-6-12(7-5-11)19-14(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyFJHRERBLQLRNGB-JTQLQIEISA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide (CID 94018114) is (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide is CC[C@H](C)C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The InChIKey is FJHRERBLQLRNGB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-10(2)13(18)17-9-8-11-4-6-12(7-5-11)19-14(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide has a molecular weight of 271.31 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide is sourced from PubChem (CID 94018114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).