3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide

C10H10ClN3O2 — CID 106170864

IUPAC3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
SMILESN#Cc1ccc(Cl)cc1NCC(O)C(N)=O
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-6(4-12)8(3-7)14-5-9(15)10(13)16/h1-3,9,14-15H,5H2,(H2,13,16)
InChIKeyRPQJFWKAWVTWRM-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.47
Rot. Bonds4

About 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide

3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide (PubChem CID 106170864) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
PubChem CID106170864
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
SMILESN#Cc1ccc(Cl)cc1NCC(O)C(N)=O
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-6(4-12)8(3-7)14-5-9(15)10(13)16/h1-3,9,14-15H,5H2,(H2,13,16)
InChIKeyRPQJFWKAWVTWRM-UHFFFAOYSA-N
XLogP0.47
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
CID 95011182
4-chloro-2-[(2-hydroxy-4-methylpentyl)amino]benzonitrile
CID 113238789
3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
CID 106170818
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
3-[(5-chloro-2-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166765
4-chloro-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]benzonitrile
CID 64689295
3-(5-chloro-2-cyanoanilino)-3-methylbutanamide
CID 114142911
4-chloro-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 64919645
4-chloro-2-[(4-hydroxy-2-phenylbutyl)amino]benzonitrile
CID 22293930
4-(5-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80540426
4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 114285571
4-chloro-2-(4-hydroxypentylamino)benzonitrile
CID 107269208

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide (CID 106170864) is 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide is N#Cc1ccc(Cl)cc1NCC(O)C(N)=O.
What is the InChIKey of 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide?
The InChIKey is RPQJFWKAWVTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-2-1-6(4-12)8(3-7)14-5-9(15)10(13)16/h1-3,9,14-15H,5H2,(H2,13,16).
What are the key properties of 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide?
3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide has a molecular weight of 239.66 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106170864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).