(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide

C20H23BrN2O2 — CID 100645230

IUPAC(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C20H23BrN2O2/c1-14-6-4-7-16(10-14)12-19(24)23(15(2)20(25)22-3)13-17-8-5-9-18(21)11-17/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyHZUPUBIMXGAZFU-HNNXBMFYSA-N
MW403.32 g/mol
LogP3.46
Rot. Bonds6

About (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide

(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide (PubChem CID 100645230) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide
PubChem CID100645230
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C20H23BrN2O2/c1-14-6-4-7-16(10-14)12-19(24)23(15(2)20(25)22-3)13-17-8-5-9-18(21)11-17/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyHZUPUBIMXGAZFU-HNNXBMFYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100645054
2-[(3-bromophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133211577
N-[(3-bromophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 100645014
(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100523241
2-[(3-bromophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194706
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methylpropanamide
CID 100568029
2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132674720
(2S)-2-[(3-bromophenyl)methyl-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100637623
(2S)-2-[(3-bromophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 100634319
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100660125
2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132689594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide (CID 100645230) is (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide is CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is HZUPUBIMXGAZFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-14-6-4-7-16(10-14)12-19(24)23(15(2)20(25)22-3)13-17-8-5-9-18(21)11-17/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide?
(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 403.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100645230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).