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

C16H17BrN2O2 — CID 4795806

IUPACN-(4-bromophenyl)-2-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NC(C)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-14-4-3-5-15(10-14)21-2)16(20)19-13-8-6-12(17)7-9-13/h3-11,18H,1-2H3,(H,19,20)
InChIKeyQRLXZUDKOHOQGR-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.90
Rot. Bonds5

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

N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide (PubChem CID 4795806) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-methoxyanilino)propanamide
PubChem CID4795806
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-bromophenyl)-2-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NC(C)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-14-4-3-5-15(10-14)21-2)16(20)19-13-8-6-12(17)7-9-13/h3-11,18H,1-2H3,(H,19,20)
InChIKeyQRLXZUDKOHOQGR-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

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Related Compounds

Ucm 793
CID 24750192
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CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
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N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188
N-{4-[(3-Methoxy-phenyl)-methyl-amino]-phenyl}-propionamide
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2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-thioxoacetamide
CID 2976140
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
N-(4-fluorophenyl)-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]acetamide
CID 16293712
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149
N-[2{(3-Methoxyphenyl)-amino]ethyl}acetamide
CID 24750070
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 2113767

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide (CID 4795806) is N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide is COc1cccc(NC(C)C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide?
The InChIKey is QRLXZUDKOHOQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18-14-4-3-5-15(10-14)21-2)16(20)19-13-8-6-12(17)7-9-13/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(3-methoxyanilino)propanamide?
N-(4-bromophenyl)-2-(3-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-(4-bromophenyl)-2-(3-methoxyanilino)propanamide is sourced from PubChem (CID 4795806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).