N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide

C15H17BrN2O — CID 56791058

IUPACN-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H17BrN2O/c1-14(2,9-17)13(19)18-10-15(6-7-15)11-4-3-5-12(16)8-11/h3-5,8H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyCWQNABLRDOVPCT-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.15
Rot. Bonds4

About N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide

N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide (PubChem CID 56791058) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
PubChem CID56791058
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H17BrN2O/c1-14(2,9-17)13(19)18-10-15(6-7-15)11-4-3-5-12(16)8-11/h3-5,8H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyCWQNABLRDOVPCT-UHFFFAOYSA-N
XLogP3.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
N-[3-[[4-(3-bromophenyl)oxan-4-yl]methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55889121
2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821
3-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 75438328
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide
CID 55973953
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-[(4-cyanophenyl)methyl]-2-methylguanidine
CID 111572751
(2S)-2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119325122
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
CID 115175276
N-[2-[[N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111572573

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide (CID 56791058) is N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)NCC1(c2cccc(Br)c2)CC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide?
The InChIKey is CWQNABLRDOVPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-14(2,9-17)13(19)18-10-15(6-7-15)11-4-3-5-12(16)8-11/h3-5,8H,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide?
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide has a molecular weight of 321.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 56791058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).