2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide

C20H23FN2O3 — CID 132654015

IUPAC2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-3-17(20(25)22-2)23(13-15-9-5-4-6-10-15)19(24)14-26-18-12-8-7-11-16(18)21/h4-12,17H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyRZONXTQVUZEFAV-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.76
Rot. Bonds8

About 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide

2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide (PubChem CID 132654015) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide
PubChem CID132654015
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-3-17(20(25)22-2)23(13-15-9-5-4-6-10-15)19(24)14-26-18-12-8-7-11-16(18)21/h4-12,17H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyRZONXTQVUZEFAV-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide
CID 132986132
2-[[2-(2-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 132662204
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
CID 132655548
2-[benzyl-[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbutanamide
CID 132943226
2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132661248
(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647222
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide
CID 132703567
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676363
2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methylbutanamide
CID 132659712
(2R)-2-[benzyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100542885
2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 132654253
2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132661195

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide (CID 132654015) is 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccccc1F.
What is the InChIKey of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide?
The InChIKey is RZONXTQVUZEFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-17(20(25)22-2)23(13-15-9-5-4-6-10-15)19(24)14-26-18-12-8-7-11-16(18)21/h4-12,17H,3,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide?
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide has a molecular weight of 358.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132654015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).