N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide

C14H20F2N2O2 — CID 43244370

IUPACN-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-4-9(2)17-13(19)10(3)18-11-5-7-12(8-6-11)20-14(15)16/h5-10,14,18H,4H2,1-3H3,(H,17,19)
InChIKeyJELTZLHJLHFZIT-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.00
Rot. Bonds7

About N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide

N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide (PubChem CID 43244370) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
PubChem CID43244370
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-4-9(2)17-13(19)10(3)18-11-5-7-12(8-6-11)20-14(15)16/h5-10,14,18H,4H2,1-3H3,(H,17,19)
InChIKeyJELTZLHJLHFZIT-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
CID 43123138
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 110878851
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
(2S)-2-amino-N-[(2S)-1-[4-(difluoromethoxy)anilino]propan-2-yl]-4,4-dimethylpentanamide
CID 69195604
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide (CID 43244370) is N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide is CCC(C)NC(=O)C(C)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide?
The InChIKey is JELTZLHJLHFZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-4-9(2)17-13(19)10(3)18-11-5-7-12(8-6-11)20-14(15)16/h5-10,14,18H,4H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide?
N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide has a molecular weight of 286.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide is sourced from PubChem (CID 43244370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).