2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide

C16H17BrN2O — CID 106591203

IUPAC2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1Br)c1cccc(N)c1
InChIInChI=1S/C16H17BrN2O/c1-11(12-6-4-7-14(18)9-12)16(20)19-10-13-5-2-3-8-15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyRFNCTBLMAIKMOB-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide

2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide (PubChem CID 106591203) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
PubChem CID106591203
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1Br)c1cccc(N)c1
InChIInChI=1S/C16H17BrN2O/c1-11(12-6-4-7-14(18)9-12)16(20)19-10-13-5-2-3-8-15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyRFNCTBLMAIKMOB-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 106591515
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368778

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide (CID 106591203) is 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide is CC(C(=O)NCc1ccccc1Br)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide?
The InChIKey is RFNCTBLMAIKMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(12-6-4-7-14(18)9-12)16(20)19-10-13-5-2-3-8-15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide?
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide has a molecular weight of 333.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide is sourced from PubChem (CID 106591203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).