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

C17H16BrNO — CID 134034329

IUPACN-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C17H16BrNO/c18-15-8-4-7-14(11-15)17(9-10-17)16(20)19-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)
InChIKeyTUDBUJNSKRUNFN-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.80
Rot. Bonds4

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

N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide (PubChem CID 134034329) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
PubChem CID134034329
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC NameN-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C17H16BrNO/c18-15-8-4-7-14(11-15)17(9-10-17)16(20)19-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)
InChIKeyTUDBUJNSKRUNFN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 75414500
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
1-(3-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 134002168
1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide
CID 55559275
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide (CID 134034329) is N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide is O=C(NCc1ccccc1)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide?
The InChIKey is TUDBUJNSKRUNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-15-8-4-7-14(11-15)17(9-10-17)16(20)19-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20).
What are the key properties of N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide?
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134034329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).