1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide

C17H16BrNO — CID 31778353

IUPAC1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C17H16BrNO/c1-12-2-8-15(9-3-12)19-16(20)17(10-11-17)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyDDPKZZDFXUDOMP-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.43
Rot. Bonds3

About 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 31778353) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID31778353
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C17H16BrNO/c1-12-2-8-15(9-3-12)19-16(20)17(10-11-17)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyDDPKZZDFXUDOMP-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
1-(4-bromophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 38007931
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 143597452
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 143597451
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
CID 43062523

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide (CID 31778353) is 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DDPKZZDFXUDOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-2-8-15(9-3-12)19-16(20)17(10-11-17)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 31778353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).