N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide

C14H19BrN2O2 — CID 115977543

IUPACN-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide
SMILESCC1(C)C(O)CC1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-14(2)11(7-12(14)18)16-8-13(19)17-10-5-3-9(15)4-6-10/h3-6,11-12,16,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyYSEGFXZORZZENB-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.14
Rot. Bonds4

About N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide

N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide (PubChem CID 115977543) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide
PubChem CID115977543
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide
SMILESCC1(C)C(O)CC1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-14(2)11(7-12(14)18)16-8-13(19)17-10-5-3-9(15)4-6-10/h3-6,11-12,16,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyYSEGFXZORZZENB-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4878607
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CID 2302658
Oxamide, N-(3-bromophenyl)-N'-(3-hydroxypropyl)-
CID 568365
N'-(4-bromo-2-fluorophenyl)-N-(2-hydroxypropyl)oxamide
CID 47147950
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CID 47147952
N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228955
N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669812
N-(4-bromo-2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171903
N-(4-bromo-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 55064938
N-(4-bromo-2-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642262

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide (CID 115977543) is N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide is CC1(C)C(O)CC1NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide?
The InChIKey is YSEGFXZORZZENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2)11(7-12(14)18)16-8-13(19)17-10-5-3-9(15)4-6-10/h3-6,11-12,16,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide?
N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide is sourced from PubChem (CID 115977543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).