1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide

C15H18BrNO3 — CID 94630208

IUPAC1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrNO3/c16-12-3-1-11(2-4-12)15(5-6-15)14(18)17-9-13-10-19-7-8-20-13/h1-4,13H,5-10H2,(H,17,18)/t13-/m1/s1
InChIKeyZEWWNCHXWWMLEL-CYBMUJFWSA-N
MW340.22 g/mol
LogP2.01
Rot. Bonds4

About 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 94630208) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID94630208
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrNO3/c16-12-3-1-11(2-4-12)15(5-6-15)14(18)17-9-13-10-19-7-8-20-13/h1-4,13H,5-10H2,(H,17,18)/t13-/m1/s1
InChIKeyZEWWNCHXWWMLEL-CYBMUJFWSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 95164050
1-[(4-bromophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl]urea
CID 97012059
4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821548
1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 103280163
5-bromo-2-(1,4-dioxan-2-ylmethylcarbamoylamino)benzoic acid
CID 62073843
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
CID 86950361
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide (CID 94630208) is 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide is O=C(NC[C@@H]1COCCO1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is ZEWWNCHXWWMLEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18BrNO3/c16-12-3-1-11(2-4-12)15(5-6-15)14(18)17-9-13-10-19-7-8-20-13/h1-4,13H,5-10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94630208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).