N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide

C12H17BrN2O — CID 65193942

IUPACN-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
SMILESCCC(CN)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-2-11(8-14)15-12(16)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyOLVOGIYCYRQQFO-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.85
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide

N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide (PubChem CID 65193942) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
PubChem CID65193942
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
SMILESCCC(CN)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-2-11(8-14)15-12(16)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyOLVOGIYCYRQQFO-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119587419
1-[2-(3-bromophenyl)ethyl]-3-pentan-3-ylurea
CID 108888425
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide (CID 65193942) is N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide is CCC(CN)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide?
The InChIKey is OLVOGIYCYRQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-11(8-14)15-12(16)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide?
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide has a molecular weight of 285.19 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 65193942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).