(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide

C21H20BrNO2 — CID 7786732

IUPAC(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
SMILESC[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H20BrNO2/c1-15(21(24)23(2)14-16-6-4-3-5-7-16)25-20-11-9-17-12-19(22)10-8-18(17)13-20/h3-13,15H,14H2,1-2H3/t15-/m0/s1
InChIKeyBBLVLHSSOXTAGU-HNNXBMFYSA-N
MW398.30 g/mol
LogP5.03
Rot. Bonds5

About (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide

(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide (PubChem CID 7786732) has the molecular formula C21H20BrNO2 and a molecular weight of 398.30 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
PubChem CID7786732
Molecular FormulaC21H20BrNO2
Molecular Weight398.30 g/mol
Exact Mass397.07
IUPAC Name(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
SMILESC[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H20BrNO2/c1-15(21(24)23(2)14-16-6-4-3-5-7-16)25-20-11-9-17-12-19(22)10-8-18(17)13-20/h3-13,15H,14H2,1-2H3/t15-/m0/s1
InChIKeyBBLVLHSSOXTAGU-HNNXBMFYSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 8663085
(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 97140124
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide (CID 7786732) is (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide is C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide?
The InChIKey is BBLVLHSSOXTAGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20BrNO2/c1-15(21(24)23(2)14-16-6-4-3-5-7-16)25-20-11-9-17-12-19(22)10-8-18(17)13-20/h3-13,15H,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide?
(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide has a molecular weight of 398.30 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide is sourced from PubChem (CID 7786732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).