1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide

C15H20BrNO2 — CID 47901796

IUPAC1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
SMILESCCOCC(C)NC(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrNO2/c1-3-19-10-11(2)17-14(18)15(8-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyGTVUVBHRAVXDMI-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.02
Rot. Bonds6

About 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 47901796) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
PubChem CID47901796
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
SMILESCCOCC(C)NC(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrNO2/c1-3-19-10-11(2)17-14(18)15(8-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyGTVUVBHRAVXDMI-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
N-[1-(4-bromophenyl)-3-ethoxybutan-2-yl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 91161330
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467746
1-(4-bromophenyl)-N-(1-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 17486820
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide (CID 47901796) is 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide is CCOCC(C)NC(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is GTVUVBHRAVXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-19-10-11(2)17-14(18)15(8-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47901796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).