2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide

C14H19BrN2O2 — CID 112990658

IUPAC2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
SMILESCCCCNC(=O)CNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-2-3-8-16-14(19)10-17-13(18)9-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyQWHNCRRDWAPZLC-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.02
Rot. Bonds7

About 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide (PubChem CID 112990658) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
PubChem CID112990658
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
SMILESCCCCNC(=O)CNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-2-3-8-16-14(19)10-17-13(18)9-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyQWHNCRRDWAPZLC-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

N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide (CID 112990658) is 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide is CCCCNC(=O)CNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
The InChIKey is QWHNCRRDWAPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-3-8-16-14(19)10-17-13(18)9-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide?
2-(4-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-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112990658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).