4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide

C17H19BrN2O2 — CID 112981040

IUPAC4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O2/c1-22-12-2-11-19-15-7-9-16(10-8-15)20-17(21)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyXIXDDBWINJCHHB-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.15
Rot. Bonds7

About 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide

4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide (PubChem CID 112981040) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
PubChem CID112981040
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O2/c1-22-12-2-11-19-15-7-9-16(10-8-15)20-17(21)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyXIXDDBWINJCHHB-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
4-(4-methoxybutylamino)benzoic acid
CID 62232205
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide (CID 112981040) is 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide is COCCCNc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide?
The InChIKey is XIXDDBWINJCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-22-12-2-11-19-15-7-9-16(10-8-15)20-17(21)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide?
4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide has a molecular weight of 363.26 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide is sourced from PubChem (CID 112981040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).