N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C21H26FNO2 — CID 75893243

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C21H26FNO2/c1-14(2)18-11-10-15(3)12-20(18)25-16(4)21(24)23(5)13-17-8-6-7-9-19(17)22/h6-12,14,16H,13H2,1-5H3
InChIKeyDNVITCAFDHAIKC-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.68
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 75893243) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID75893243
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C21H26FNO2/c1-14(2)18-11-10-15(3)12-20(18)25-16(4)21(24)23(5)13-17-8-6-7-9-19(17)22/h6-12,14,16H,13H2,1-5H3
InChIKeyDNVITCAFDHAIKC-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 98831423
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
CID 132761048
(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
CID 99954014
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133163789
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55792767
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 75893243) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is DNVITCAFDHAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-14(2)18-11-10-15(3)12-20(18)25-16(4)21(24)23(5)13-17-8-6-7-9-19(17)22/h6-12,14,16H,13H2,1-5H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 343.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 75893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).