(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C21H25FN2O3 — CID 100647222

IUPAC(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C21H25FN2O3/c1-15(2)23-21(26)16(3)24(13-17-9-5-4-6-10-17)20(25)14-27-19-12-8-7-11-18(19)22/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyKAEQACZEHLEIPI-INIZCTEOSA-N
MW372.44 g/mol
LogP3.15
Rot. Bonds8

About (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide

(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100647222) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID100647222
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C21H25FN2O3/c1-15(2)23-21(26)16(3)24(13-17-9-5-4-6-10-17)20(25)14-27-19-12-8-7-11-18(19)22/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyKAEQACZEHLEIPI-INIZCTEOSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide
CID 132703567
(2R)-2-[[2-(2-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100715577
2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876
(2S)-2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645001
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100710937
(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100688812
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132654004
(2R)-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100690759
(2S)-2-[[2-(2-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633159
(2S)-2-[(3-bromophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100644872
(2S)-2-[(3-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100620282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 100647222) is (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F.
What is the InChIKey of (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is KAEQACZEHLEIPI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15(2)23-21(26)16(3)24(13-17-9-5-4-6-10-17)20(25)14-27-19-12-8-7-11-18(19)22/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100647222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).