2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide

C14H19BrN2O2 — CID 112990659

IUPAC2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
SMILESCCCCNC(=O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-2-3-7-16-14(19)10-17-13(18)9-11-5-4-6-12(15)8-11/h4-6,8H,2-3,7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAZAMYLSYUWLDIU-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.02
Rot. Bonds7

About 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide (PubChem CID 112990659) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
PubChem CID112990659
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
SMILESCCCCNC(=O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-2-3-7-16-14(19)10-17-13(18)9-11-5-4-6-12(15)8-11/h4-6,8H,2-3,7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAZAMYLSYUWLDIU-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
CID 127122247

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide (CID 112990659) is 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide is CCCCNC(=O)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
The InChIKey is AZAMYLSYUWLDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-3-7-16-14(19)10-17-13(18)9-11-5-4-6-12(15)8-11/h4-6,8H,2-3,7,9-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112990659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).