1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide

C20H22BrNO4 — CID 55624123

IUPAC1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCOCCOc1cc(NC(=O)C2(c3cccc(Br)c3)CC2)ccc1OC
InChIInChI=1S/C20H22BrNO4/c1-24-10-11-26-18-13-16(6-7-17(18)25-2)22-19(23)20(8-9-20)14-4-3-5-15(21)12-14/h3-7,12-13H,8-11H2,1-2H3,(H,22,23)
InChIKeyTZXGINBUPCZTEB-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.15
Rot. Bonds8

About 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 55624123) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID55624123
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC Name1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCOCCOc1cc(NC(=O)C2(c3cccc(Br)c3)CC2)ccc1OC
InChIInChI=1S/C20H22BrNO4/c1-24-10-11-26-18-13-16(6-7-17(18)25-2)22-19(23)20(8-9-20)14-4-3-5-15(21)12-14/h3-7,12-13H,8-11H2,1-2H3,(H,22,23)
InChIKeyTZXGINBUPCZTEB-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
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CID 26364802
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 55715107
4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 55556786
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924281
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
1-(3-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 134002168
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide (CID 55624123) is 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide is COCCOc1cc(NC(=O)C2(c3cccc(Br)c3)CC2)ccc1OC.
What is the InChIKey of 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is TZXGINBUPCZTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-24-10-11-26-18-13-16(6-7-17(18)25-2)22-19(23)20(8-9-20)14-4-3-5-15(21)12-14/h3-7,12-13H,8-11H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55624123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).