N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide

C13H16BrNO — CID 97215973

IUPACN-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H16BrNO/c1-10(16)15(2)9-13(7-8-13)11-3-5-12(14)6-4-11/h3-6H,7-9H2,1-2H3
InChIKeyKSXPJHZKMZPEAH-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.96
Rot. Bonds3

About N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide

N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide (PubChem CID 97215973) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
PubChem CID97215973
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H16BrNO/c1-10(16)15(2)9-13(7-8-13)11-3-5-12(14)6-4-11/h3-6H,7-9H2,1-2H3
InChIKeyKSXPJHZKMZPEAH-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
CID 119333592
N-methyl-N-[[1-(4-methylphenyl)cyclopentyl]methyl]acetamide
CID 59019943
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide
CID 119333582
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119801130
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride
CID 119801110
2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 166414654
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
CID 89447294
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781
1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
CID 30303125
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide (CID 97215973) is N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide is CC(=O)N(C)CC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide?
The InChIKey is KSXPJHZKMZPEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10(16)15(2)9-13(7-8-13)11-3-5-12(14)6-4-11/h3-6H,7-9H2,1-2H3.
What are the key properties of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide?
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide has a molecular weight of 282.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide is sourced from PubChem (CID 97215973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).