N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide

C14H19BrN2O — CID 43634641

IUPACN-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O/c1-10(18)16-5-6-17-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,12,14,17H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyYFEMPBBOEFUQGD-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.42
Rot. Bonds5

About N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide

N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide (PubChem CID 43634641) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
PubChem CID43634641
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O/c1-10(18)16-5-6-17-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,12,14,17H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyYFEMPBBOEFUQGD-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.42
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-[3-(3-bromophenyl)propyl]propanamide
CID 10563944
N-[3-(3-bromophenyl)propyl]butanamide
CID 10589086
N-[3-(3-bromophenyl)propyl]acetamide
CID 10682476
2-(3-Bromo-benzyl)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393698
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229
N-[2-(4-bromophenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 40169657
N-[2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoethyl]propanamide
CID 56822974
methyl N-[2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 72025374
b-Bromohydrocinnamic cyclohexylamide
CID 7945743
(R)-N-(1-(3-Bromophenyl)ethyl)acetamide
CID 15261589
N-[1-(3-Bromophenyl)ethyl]acetamide
CID 47025131
N-[3-(2-bromophenyl)propyl]acetamide
CID 58488450

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide (CID 43634641) is N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide is CC(=O)NCCNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide?
The InChIKey is YFEMPBBOEFUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(18)16-5-6-17-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,12,14,17H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide?
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide has a molecular weight of 311.22 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide is sourced from PubChem (CID 43634641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).