N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide

C17H16BrN3O4 — CID 5119214

IUPACN-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br
InChIInChI=1S/C17H16BrN3O4/c1-10(22)19-13-6-3-11(4-7-13)16(23)20-21-17(24)12-5-8-15(25-2)14(18)9-12/h3-9H,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyRCWGWCQYIMFHFU-UHFFFAOYSA-N
MW406.24 g/mol
LogP2.49
Rot. Bonds4

About N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide

N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 5119214) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
PubChem CID5119214
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC NameN-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br
InChIInChI=1S/C17H16BrN3O4/c1-10(22)19-13-6-3-11(4-7-13)16(23)20-21-17(24)12-5-8-15(25-2)14(18)9-12/h3-9H,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyRCWGWCQYIMFHFU-UHFFFAOYSA-N
XLogP2.49
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide
CID 4502168
4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5118738
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 17341898
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-bromo-4-methylbenzamide
CID 4510996
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17356679

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide (CID 5119214) is N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide is COc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br.
What is the InChIKey of N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is RCWGWCQYIMFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c1-10(22)19-13-6-3-11(4-7-13)16(23)20-21-17(24)12-5-8-15(25-2)14(18)9-12/h3-9H,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 406.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 5119214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).