1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide

C16H23BrN2O — CID 134034350

IUPAC1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O/c1-3-19(4-2)11-10-18-15(20)16(8-9-16)13-6-5-7-14(17)12-13/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,20)
InChIKeyXGIIKARBUFATEF-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.94
Rot. Bonds7

About 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 134034350) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID134034350
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O/c1-3-19(4-2)11-10-18-15(20)16(8-9-16)13-6-5-7-14(17)12-13/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,20)
InChIKeyXGIIKARBUFATEF-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
1-(3-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 134002168
N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478
1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119447484

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide (CID 134034350) is 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide is CCN(CC)CCNC(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is XGIIKARBUFATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-19(4-2)11-10-18-15(20)16(8-9-16)13-6-5-7-14(17)12-13/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).