1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide

C20H21BrN2O3 — CID 32941075

IUPAC1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C20H21BrN2O3/c1-2-22-18(24)13-26-17-9-7-16(8-10-17)23-19(25)20(11-12-20)14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyUKHBJGYVMBXFQD-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.63
Rot. Bonds7

About 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 32941075) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
PubChem CID32941075
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC Name1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C20H21BrN2O3/c1-2-22-18(24)13-26-17-9-7-16(8-10-17)23-19(25)20(11-12-20)14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyUKHBJGYVMBXFQD-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
5-bromo-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxybenzamide
CID 32938270
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 18291480

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide (CID 32941075) is 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide is CCNC(=O)COc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is UKHBJGYVMBXFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-2-22-18(24)13-26-17-9-7-16(8-10-17)23-19(25)20(11-12-20)14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 32941075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).