3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide

C14H12BrN3O3 — CID 10383212

IUPAC3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
SMILESNC(=O)c1cccc(NC(=O)Nc2ccccc2Br)c1O
InChIInChI=1S/C14H12BrN3O3/c15-9-5-1-2-6-10(9)17-14(21)18-11-7-3-4-8(12(11)19)13(16)20/h1-7,19H,(H2,16,20)(H2,17,18,21)
InChIKeyAFKOLTUDLCQEFD-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.90
Rot. Bonds3

About 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide

3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide (PubChem CID 10383212) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
PubChem CID10383212
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
SMILESNC(=O)c1cccc(NC(=O)Nc2ccccc2Br)c1O
InChIInChI=1S/C14H12BrN3O3/c15-9-5-1-2-6-10(9)17-14(21)18-11-7-3-4-8(12(11)19)13(16)20/h1-7,19H,(H2,16,20)(H2,17,18,21)
InChIKeyAFKOLTUDLCQEFD-UHFFFAOYSA-N
XLogP2.90
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-2-hydroxybenzamide
CID 66833068
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
CID 108868802
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
methyl (E)-3-[3-[(2-bromophenyl)carbamoylamino]-2-hydroxyphenyl]prop-2-enoate
CID 21184755
1-[3-(aminomethyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea;hydrochloride
CID 45263183
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
3-[(2-bromophenyl)carbamoylamino]-2-hydroxy-N-phenylbenzamide;1-(2-bromophenyl)-3-(3-cyano-2-hydroxy-4-methylphenyl)urea
CID 70107453
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-hydroxyphenyl]-3-(2-bromophenyl)urea
CID 67992748
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide?
The IUPAC name of 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide (CID 10383212) is 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide.
What is the SMILES notation for 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide?
The canonical SMILES for 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide is NC(=O)c1cccc(NC(=O)Nc2ccccc2Br)c1O.
What is the InChIKey of 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide?
The InChIKey is AFKOLTUDLCQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-9-5-1-2-6-10(9)17-14(21)18-11-7-3-4-8(12(11)19)13(16)20/h1-7,19H,(H2,16,20)(H2,17,18,21).
What are the key properties of 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide?
3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide has a molecular weight of 350.17 g/mol, XLogP of 2.90, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide is sourced from PubChem (CID 10383212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).