N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide

C17H17BrN2O2 — CID 46451248

IUPACN-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O2/c1-2-16(21)19-14-4-3-5-15(11-14)20-17(22)10-12-6-8-13(18)9-7-12/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyHXVFVQUXENJJFK-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.98
Rot. Bonds5

About N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide

N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide (PubChem CID 46451248) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
PubChem CID46451248
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O2/c1-2-16(21)19-14-4-3-5-15(11-14)20-17(22)10-12-6-8-13(18)9-7-12/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyHXVFVQUXENJJFK-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
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CID 28624202
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
CID 66473184
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide (CID 46451248) is N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide?
The InChIKey is HXVFVQUXENJJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-2-16(21)19-14-4-3-5-15(11-14)20-17(22)10-12-6-8-13(18)9-7-12/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide has a molecular weight of 361.24 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 46451248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).