3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide

C19H20Br2N2O2 — CID 139955588

IUPAC3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
SMILESO=C(CCBr)Nc1ccc(Cc2ccc(NC(=O)CCBr)cc2)cc1
InChIInChI=1S/C19H20Br2N2O2/c20-11-9-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21/h1-8H,9-13H2,(H,22,24)(H,23,25)
InChIKeyFHKXWNPMXKFMJW-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.72
Rot. Bonds8

About 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide

3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide (PubChem CID 139955588) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
PubChem CID139955588
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
SMILESO=C(CCBr)Nc1ccc(Cc2ccc(NC(=O)CCBr)cc2)cc1
InChIInChI=1S/C19H20Br2N2O2/c20-11-9-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21/h1-8H,9-13H2,(H,22,24)(H,23,25)
InChIKeyFHKXWNPMXKFMJW-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
3-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
4-[octyl(pentyl)amino]-N-[4-[[4-[4-[octyl(pentyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139955611
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
3-[butyl(heptyl)amino]-N-[4-[[4-[3-[butyl(heptyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955530
2,5-bis(3-bromopropanoylamino)benzenesulfonic acid
CID 20688338

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide?
The IUPAC name of 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide (CID 139955588) is 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide?
The canonical SMILES for 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide is O=C(CCBr)Nc1ccc(Cc2ccc(NC(=O)CCBr)cc2)cc1.
What is the InChIKey of 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide?
The InChIKey is FHKXWNPMXKFMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c20-11-9-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21/h1-8H,9-13H2,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide?
3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide has a molecular weight of 468.19 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide is sourced from PubChem (CID 139955588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).