2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide

C19H21BrN2O2 — CID 132763037

IUPAC2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-14(19(24)21-2)22(13-16-8-10-17(20)11-9-16)18(23)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyRWFIPNMPZFVZOE-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.15
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide

2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide (PubChem CID 132763037) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
PubChem CID132763037
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-14(19(24)21-2)22(13-16-8-10-17(20)11-9-16)18(23)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyRWFIPNMPZFVZOE-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 100646101
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methylpropanamide
CID 100568029
(2S)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568207
(2R)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568199
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132651314
(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 100568060
(2S)-2-[(4-bromophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 100645677
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132611888
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide (CID 132763037) is 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide?
The InChIKey is RWFIPNMPZFVZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14(19(24)21-2)22(13-16-8-10-17(20)11-9-16)18(23)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide?
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide has a molecular weight of 389.29 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide is sourced from PubChem (CID 132763037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).