4-[(4-bromophenyl)methylamino]butanamide

C11H15BrN2O — CID 60865006

IUPAC4-[(4-bromophenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c12-10-5-3-9(4-6-10)8-14-7-1-2-11(13)15/h3-6,14H,1-2,7-8H2,(H2,13,15)
InChIKeyFMZMDALDKQMMPL-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.80
Rot. Bonds6

About 4-[(4-bromophenyl)methylamino]butanamide

4-[(4-bromophenyl)methylamino]butanamide (PubChem CID 60865006) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylamino]butanamide
PubChem CID60865006
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-[(4-bromophenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c12-10-5-3-9(4-6-10)8-14-7-1-2-11(13)15/h3-6,14H,1-2,7-8H2,(H2,13,15)
InChIKeyFMZMDALDKQMMPL-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
4-[(4-nitrophenyl)methylamino]butanamide
CID 60865200
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 60864122
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
CID 28684406
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
CID 106234184

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylamino]butanamide?
The IUPAC name of 4-[(4-bromophenyl)methylamino]butanamide (CID 60865006) is 4-[(4-bromophenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(4-bromophenyl)methylamino]butanamide?
The canonical SMILES for 4-[(4-bromophenyl)methylamino]butanamide is NC(=O)CCCNCc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methylamino]butanamide?
The InChIKey is FMZMDALDKQMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-5-3-9(4-6-10)8-14-7-1-2-11(13)15/h3-6,14H,1-2,7-8H2,(H2,13,15).
What are the key properties of 4-[(4-bromophenyl)methylamino]butanamide?
4-[(4-bromophenyl)methylamino]butanamide has a molecular weight of 271.16 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylamino]butanamide is sourced from PubChem (CID 60865006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).