3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide

C10H10BrN3O2 — CID 106170818

IUPAC3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
SMILESN#Cc1cc(Br)ccc1NCC(O)C(N)=O
InChIInChI=1S/C10H10BrN3O2/c11-7-1-2-8(6(3-7)4-12)14-5-9(15)10(13)16/h1-3,9,14-15H,5H2,(H2,13,16)
InChIKeyPMHZAJZDLZPIHA-UHFFFAOYSA-N
MW284.11 g/mol
LogP0.58
Rot. Bonds4

About 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide

3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide (PubChem CID 106170818) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
PubChem CID106170818
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
SMILESN#Cc1cc(Br)ccc1NCC(O)C(N)=O
InChIInChI=1S/C10H10BrN3O2/c11-7-1-2-8(6(3-7)4-12)14-5-9(15)10(13)16/h1-3,9,14-15H,5H2,(H2,13,16)
InChIKeyPMHZAJZDLZPIHA-UHFFFAOYSA-N
XLogP0.58
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
2-[(4-bromo-2-cyanoanilino)methyl]butanoic acid
CID 114890154
5-bromo-2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 82708510
3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
CID 106170864
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 106171079
3-[(4-bromo-2-cyanoanilino)methyl]-5-methylhexanoic acid
CID 114890164
5-bromo-2-(2,2-dicyclopropylethylamino)benzonitrile
CID 114890736
4-(4-bromo-2-cyanoanilino)butanoic acid
CID 82708343
N-[2-(4-bromo-2-cyanoanilino)ethyl]acetamide
CID 75519932
4-(4-bromo-2-cyanoanilino)-2-methylbutanoic acid
CID 114890222
5-[(4-bromo-2-cyanoanilino)methyl]thiophene-3-carboxamide
CID 82707727

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide (CID 106170818) is 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide is N#Cc1cc(Br)ccc1NCC(O)C(N)=O.
What is the InChIKey of 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide?
The InChIKey is PMHZAJZDLZPIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-7-1-2-8(6(3-7)4-12)14-5-9(15)10(13)16/h1-3,9,14-15H,5H2,(H2,13,16).
What are the key properties of 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide?
3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide has a molecular weight of 284.11 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106170818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).