4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide

C19H19BrN2O2 — CID 50821516

IUPAC4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C19H19BrN2O2/c1-2-21-18(24)19(11-12-19)14-5-9-16(10-6-14)22-17(23)13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyQNLKQTLCFMCLOL-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.87
Rot. Bonds5

About 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide

4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821516) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821516
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C19H19BrN2O2/c1-2-21-18(24)19(11-12-19)14-5-9-16(10-6-14)22-17(23)13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyQNLKQTLCFMCLOL-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821548
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 52702994
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821516) is 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide is CCNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is QNLKQTLCFMCLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-21-18(24)19(11-12-19)14-5-9-16(10-6-14)22-17(23)13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 387.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).