4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide

C19H15BrN2O2 — CID 122403886

IUPAC4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Br)cc1)Nc1ccc(C2C=CC=C2)cc1
InChIInChI=1S/C19H15BrN2O2/c20-16-9-5-15(6-10-16)18(23)22-19(24)21-17-11-7-14(8-12-17)13-3-1-2-4-13/h1-13H,(H2,21,22,23,24)
InChIKeyXNKSDJPUFZSDCY-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.62
Rot. Bonds3

About 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide

4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide (PubChem CID 122403886) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide
PubChem CID122403886
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Br)cc1)Nc1ccc(C2C=CC=C2)cc1
InChIInChI=1S/C19H15BrN2O2/c20-16-9-5-15(6-10-16)18(23)22-19(24)21-17-11-7-14(8-12-17)13-3-1-2-4-13/h1-13H,(H2,21,22,23,24)
InChIKeyXNKSDJPUFZSDCY-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
CID 980589
N-[(4-acetamidophenyl)carbamothioyl]-4-bromobenzamide
CID 3477981
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
CID 70307077
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
N-[(4-bromophenyl)carbamoyl]-2,2,2-trichloroacetamide
CID 1376669
methyl 4-[(4-bromobenzoyl)carbamothioylamino]benzoate
CID 54791953
1-(4-bromobenzenecarbothioyl)-3-phenylurea
CID 5007969
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide?
The IUPAC name of 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide (CID 122403886) is 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide?
The canonical SMILES for 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccc(Br)cc1)Nc1ccc(C2C=CC=C2)cc1.
What is the InChIKey of 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide?
The InChIKey is XNKSDJPUFZSDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-16-9-5-15(6-10-16)18(23)22-19(24)21-17-11-7-14(8-12-17)13-3-1-2-4-13/h1-13H,(H2,21,22,23,24).
What are the key properties of 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide?
4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide has a molecular weight of 383.25 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 122403886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).