N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide

C25H24BrN3O4 — CID 17350275

IUPACN-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24BrN3O4/c1-2-3-15-33-22-14-11-19(26)16-21(22)25(32)29-28-24(31)18-9-12-20(13-10-18)27-23(30)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJXNVYPPWODUNJQ-UHFFFAOYSA-N
MW510.39 g/mol
LogP4.96
Rot. Bonds8

About N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 17350275) has the molecular formula C25H24BrN3O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID17350275
Molecular FormulaC25H24BrN3O4
Molecular Weight510.39 g/mol
Exact Mass509.10
IUPAC NameN-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24BrN3O4/c1-2-3-15-33-22-14-11-19(26)16-21(22)25(32)29-28-24(31)18-9-12-20(13-10-18)27-23(30)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJXNVYPPWODUNJQ-UHFFFAOYSA-N
XLogP4.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.39
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17046423
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
N-[4-[[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 17350925
5-bromo-2-butoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17350556
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-butoxybenzamide
CID 4956241
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide (CID 17350275) is N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is JXNVYPPWODUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O4/c1-2-3-15-33-22-14-11-19(26)16-21(22)25(32)29-28-24(31)18-9-12-20(13-10-18)27-23(30)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 510.39 g/mol, XLogP of 4.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17350275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).