1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea

C18H14BrN3O3 — CID 24819542

IUPAC1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O3/c19-13-5-7-14(8-6-13)20-18(25)22-21-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,21,24)(H2,20,22,25)
InChIKeyWTUTUWBMBWABLS-UHFFFAOYSA-N
MW400.23 g/mol
LogP3.77
Rot. Bonds2

About 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea

1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea (PubChem CID 24819542) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
PubChem CID24819542
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O3/c19-13-5-7-14(8-6-13)20-18(25)22-21-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,21,24)(H2,20,22,25)
InChIKeyWTUTUWBMBWABLS-UHFFFAOYSA-N
XLogP3.77
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 7988148
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 166230867
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
CID 980589
1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea
CID 143729295
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
CID 3964823
N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 56569494

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea (CID 24819542) is 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea is O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
The InChIKey is WTUTUWBMBWABLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-13-5-7-14(8-6-13)20-18(25)22-21-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,21,24)(H2,20,22,25).
What are the key properties of 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea?
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea has a molecular weight of 400.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea is sourced from PubChem (CID 24819542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).