N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide

C16H22BrNO — CID 107206168

IUPACN-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(CCCCCBr)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H22BrNO/c1-18(13-7-3-6-12-17)15(19)16(10-11-16)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeySBTLKNOYAUOLED-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.74
Rot. Bonds7

About N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide

N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 107206168) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID107206168
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(CCCCCBr)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H22BrNO/c1-18(13-7-3-6-12-17)15(19)16(10-11-16)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeySBTLKNOYAUOLED-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113469199
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
3-[(1-ethylsulfonyl-4-phenylpiperidine-4-carbonyl)-methylamino]propanoic acid
CID 119362379
4-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 119172859

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 107206168) is N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide is CN(CCCCCBr)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is SBTLKNOYAUOLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-18(13-7-3-6-12-17)15(19)16(10-11-16)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3.
What are the key properties of N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 107206168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).