4-amino-N-(4-bromo-3-methylphenyl)butanamide

C11H15BrN2O — CID 22692281

IUPAC4-amino-N-(4-bromo-3-methylphenyl)butanamide
SMILESCc1cc(NC(=O)CCCN)ccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8-7-9(4-5-10(8)12)14-11(15)3-2-6-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyHFMVFGLEDZBSAT-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.43
Rot. Bonds4

About 4-amino-N-(4-bromo-3-methylphenyl)butanamide

4-amino-N-(4-bromo-3-methylphenyl)butanamide (PubChem CID 22692281) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-3-methylphenyl)butanamide
PubChem CID22692281
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-amino-N-(4-bromo-3-methylphenyl)butanamide
SMILESCc1cc(NC(=O)CCCN)ccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8-7-9(4-5-10(8)12)14-11(15)3-2-6-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyHFMVFGLEDZBSAT-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63334946
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4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
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5-(4-aminobutanoylamino)-2-bromobenzoic acid
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CID 39193527
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
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N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
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CID 82867477

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-3-methylphenyl)butanamide?
The IUPAC name of 4-amino-N-(4-bromo-3-methylphenyl)butanamide (CID 22692281) is 4-amino-N-(4-bromo-3-methylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-bromo-3-methylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-bromo-3-methylphenyl)butanamide is Cc1cc(NC(=O)CCCN)ccc1Br.
What is the InChIKey of 4-amino-N-(4-bromo-3-methylphenyl)butanamide?
The InChIKey is HFMVFGLEDZBSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-7-9(4-5-10(8)12)14-11(15)3-2-6-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(4-bromo-3-methylphenyl)butanamide?
4-amino-N-(4-bromo-3-methylphenyl)butanamide has a molecular weight of 271.16 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-3-methylphenyl)butanamide is sourced from PubChem (CID 22692281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).