2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide

C16H22BrNO2 — CID 110002073

IUPAC2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-3-16(2,8-9-19)18-15(20)14-10-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,19H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyDIBZUYHNBBMNAO-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.22
Rot. Bonds6

About 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide

2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide (PubChem CID 110002073) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide
PubChem CID110002073
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-3-16(2,8-9-19)18-15(20)14-10-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,19H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyDIBZUYHNBBMNAO-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 113275566
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide
CID 75512145
trans-(1R,2R)-2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 94798725
2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 47089784
methyl (3S)-3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819236
2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002590
methyl (3S)-3-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819235
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide (CID 110002073) is 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide is CCC(C)(CCO)NC(=O)C1CC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is DIBZUYHNBBMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-16(2,8-9-19)18-15(20)14-10-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,19H,3,8-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide?
2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110002073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).