N-(2-bromophenyl)butanamide

C10H12BrNO — CID 732405

IUPACN-(2-bromophenyl)butanamide
SMILESCCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h3-4,6-7H,2,5H2,1H3,(H,12,13)
InChIKeyMZTDZSQKBXRTNL-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.19
Rot. Bonds3

About N-(2-bromophenyl)butanamide

N-(2-bromophenyl)butanamide (PubChem CID 732405) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(2-bromophenyl)butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)butanamide
PubChem CID732405
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-(2-bromophenyl)butanamide
SMILESCCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h3-4,6-7H,2,5H2,1H3,(H,12,13)
InChIKeyMZTDZSQKBXRTNL-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
N-(2-fluorophenyl)butanamide
CID 849021
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
CID 2414095
N-(4-amino-2-bromophenyl)butanamide
CID 43549445

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)butanamide?
The IUPAC name of N-(2-bromophenyl)butanamide (CID 732405) is N-(2-bromophenyl)butanamide.
What is the SMILES notation for N-(2-bromophenyl)butanamide?
The canonical SMILES for N-(2-bromophenyl)butanamide is CCCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)butanamide?
The InChIKey is MZTDZSQKBXRTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h3-4,6-7H,2,5H2,1H3,(H,12,13).
What are the key properties of N-(2-bromophenyl)butanamide?
N-(2-bromophenyl)butanamide has a molecular weight of 242.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)butanamide is sourced from PubChem (CID 732405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).