1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide

C15H20BrNO — CID 134062174

IUPAC1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H20BrNO/c1-11(2)6-9-17-14(18)15(7-8-15)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyKBRFRKFKXQOCJW-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.64
Rot. Bonds5

About 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 134062174) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID134062174
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H20BrNO/c1-11(2)6-9-17-14(18)15(7-8-15)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyKBRFRKFKXQOCJW-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
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1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
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1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide (CID 134062174) is 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CCNC(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is KBRFRKFKXQOCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(2)6-9-17-14(18)15(7-8-15)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134062174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).