N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide

C16H17BrN2O2 — CID 51242436

IUPACN-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-13-6-8-15(21-2)9-7-13)16(20)19-14-5-3-4-12(17)10-14/h3-11,18H,1-2H3,(H,19,20)
InChIKeyXXFBHSGJINFSEO-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.90
Rot. Bonds5

About N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide

N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide (PubChem CID 51242436) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
PubChem CID51242436
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-13-6-8-15(21-2)9-7-13)16(20)19-14-5-3-4-12(17)10-14/h3-11,18H,1-2H3,(H,19,20)
InChIKeyXXFBHSGJINFSEO-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
N-[(2S)-1-(3-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9138331
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide (CID 51242436) is N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide is COc1ccc(NC(C)C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide?
The InChIKey is XXFBHSGJINFSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18-13-6-8-15(21-2)9-7-13)16(20)19-14-5-3-4-12(17)10-14/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide?
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide is sourced from PubChem (CID 51242436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).