4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide

C13H18BrNO2 — CID 102851748

IUPAC4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C13H18BrNO2/c1-10(7-8-17-2)15-13(16)12-5-3-11(9-14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyBFHAGGQPNWWZHH-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.74
Rot. Bonds6

About 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide

4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 102851748) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
PubChem CID102851748
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C13H18BrNO2/c1-10(7-8-17-2)15-13(16)12-5-3-11(9-14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyBFHAGGQPNWWZHH-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
4-(bromomethyl)-N-octan-2-ylbenzamide
CID 102851160
4-(bromomethyl)-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 102851731
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
CID 60600720
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-[(4-methoxybutan-2-ylamino)methyl]benzoic acid
CID 64605268

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide (CID 102851748) is 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is BFHAGGQPNWWZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10(7-8-17-2)15-13(16)12-5-3-11(9-14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide?
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 102851748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).