N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

C19H18BrN3O3 — CID 4509550

IUPACN-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br
InChIInChI=1S/C19H18BrN3O3/c1-11-2-3-14(10-16(11)20)19(26)23-22-18(25)13-6-8-15(9-7-13)21-17(24)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNUXJZKYFOZBCHR-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.18
Rot. Bonds4

About N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 4509550) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID4509550
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC NameN-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br
InChIInChI=1S/C19H18BrN3O3/c1-11-2-3-14(10-16(11)20)19(26)23-22-18(25)13-6-8-15(9-7-13)21-17(24)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNUXJZKYFOZBCHR-UHFFFAOYSA-N
XLogP3.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1013445
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17356671
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-bromo-4-methylbenzamide
CID 4510996
N-[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 31421628
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 4509550) is N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br.
What is the InChIKey of N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NUXJZKYFOZBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-11-2-3-14(10-16(11)20)19(26)23-22-18(25)13-6-8-15(9-7-13)21-17(24)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 4509550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).