N-[(4-bromophenyl)methyl]butanamide

C11H14BrNO — CID 22503328

IUPACN-[(4-bromophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyCGWMQDKUUKXZKT-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.87
Rot. Bonds4

About N-[(4-bromophenyl)methyl]butanamide

N-[(4-bromophenyl)methyl]butanamide (PubChem CID 22503328) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]butanamide
PubChem CID22503328
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[(4-bromophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyCGWMQDKUUKXZKT-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
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N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
2-[(4-bromophenyl)methylamino]-2-oxoacetic acid;ethane
CID 145068790
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
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N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]butanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]butanamide (CID 22503328) is N-[(4-bromophenyl)methyl]butanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]butanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]butanamide is CCCC(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]butanamide?
The InChIKey is CGWMQDKUUKXZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14).
What are the key properties of N-[(4-bromophenyl)methyl]butanamide?
N-[(4-bromophenyl)methyl]butanamide has a molecular weight of 256.14 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]butanamide is sourced from PubChem (CID 22503328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).