N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide

C22H25BrN2O2 — CID 55975233

IUPACN-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C22H25BrN2O2/c1-16-6-2-3-9-19(16)21(27)24-13-10-20(26)25-15-22(11-5-12-22)17-7-4-8-18(23)14-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyONJBAFGMRMJDCU-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.12
Rot. Bonds7

About N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 55975233) has the molecular formula C22H25BrN2O2 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID55975233
Molecular FormulaC22H25BrN2O2
Molecular Weight429.36 g/mol
Exact Mass428.11
IUPAC NameN-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C22H25BrN2O2/c1-16-6-2-3-9-19(16)21(27)24-13-10-20(26)25-15-22(11-5-12-22)17-7-4-8-18(23)14-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyONJBAFGMRMJDCU-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylsulfonylbenzamide
CID 55980447
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide
CID 138034170
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 71888332
N-[3-[[4-(3-bromophenyl)oxan-4-yl]methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55889121
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-methylbenzamide
CID 108539696
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
4-acetyl-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52721045
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]octanamide
CID 60535695

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide (CID 55975233) is N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is ONJBAFGMRMJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O2/c1-16-6-2-3-9-19(16)21(27)24-13-10-20(26)25-15-22(11-5-12-22)17-7-4-8-18(23)14-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 429.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 55975233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).