1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide

C17H21BrN2O2 — CID 78847173

IUPAC1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H21BrN2O2/c1-20(11-15(21)19-14-7-8-14)16(22)17(9-2-10-17)12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,21)
InChIKeyVKQJFDDVZQLCBQ-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide

1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 78847173) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
PubChem CID78847173
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H21BrN2O2/c1-20(11-15(21)19-14-7-8-14)16(22)17(9-2-10-17)12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,21)
InChIKeyVKQJFDDVZQLCBQ-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 38007931
1-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
CID 80587918
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide
CID 112836167
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55521341
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide (CID 78847173) is 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide is CN(CC(=O)NC1CC1)C(=O)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is VKQJFDDVZQLCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-20(11-15(21)19-14-7-8-14)16(22)17(9-2-10-17)12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,21).
What are the key properties of 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 78847173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).