(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide

C19H20BrClN2O2 — CID 100645054

IUPAC(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O2/c1-13(19(25)22-2)23(12-15-6-3-7-16(20)9-15)18(24)11-14-5-4-8-17(21)10-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyOAZBJVNSHUJWOP-CYBMUJFWSA-N
MW423.74 g/mol
LogP3.81
Rot. Bonds6

About (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide

(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide (PubChem CID 100645054) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
PubChem CID100645054
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O2/c1-13(19(25)22-2)23(12-15-6-3-7-16(20)9-15)18(24)11-14-5-4-8-17(21)10-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyOAZBJVNSHUJWOP-CYBMUJFWSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide
CID 100645230
(2S)-2-[(3-bromophenyl)methyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100637863
N-[(3-bromophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 100645014
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100616980
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132763474
2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132621647
2-[(3-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133145829
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133259564
2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132761704
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486
2-[(3-bromophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132617552
(2R)-2-[(4-bromophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 100645788

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide (CID 100645054) is (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is OAZBJVNSHUJWOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-13(19(25)22-2)23(12-15-6-3-7-16(20)9-15)18(24)11-14-5-4-8-17(21)10-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide?
(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 423.74 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100645054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).