N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide

C23H20BrN3O4 — CID 4508209

IUPACN-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H20BrN3O4/c24-21-18-4-2-1-3-14(18)9-12-19(21)31-13-20(28)26-27-23(30)16-7-10-17(11-8-16)25-22(29)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,25,29)(H,26,28)(H,27,30)
InChIKeyDHQUSNMSBHUWNV-UHFFFAOYSA-N
MW482.33 g/mol
LogP3.79
Rot. Bonds6

About N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 4508209) has the molecular formula C23H20BrN3O4 and a molecular weight of 482.33 g/mol. Its IUPAC name is N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID4508209
Molecular FormulaC23H20BrN3O4
Molecular Weight482.33 g/mol
Exact Mass481.06
IUPAC NameN-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H20BrN3O4/c24-21-18-4-2-1-3-14(18)9-12-19(21)31-13-20(28)26-27-23(30)16-7-10-17(11-8-16)25-22(29)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,25,29)(H,26,28)(H,27,30)
InChIKeyDHQUSNMSBHUWNV-UHFFFAOYSA-N
XLogP3.79
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 53.79
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

N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
N-[4-[[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4960820
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508218
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17096567
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17350317
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 3307862
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4931286

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 4508209) is N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DHQUSNMSBHUWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4/c24-21-18-4-2-1-3-14(18)9-12-19(21)31-13-20(28)26-27-23(30)16-7-10-17(11-8-16)25-22(29)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 482.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 4508209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).