[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid

C10H13ClNO5P — CID 101411104

IUPAC[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
SMILESO=CN(O)CCC(c1ccc(Cl)cc1)P(=O)(O)O
InChIInChI=1S/C10H13ClNO5P/c11-9-3-1-8(2-4-9)10(18(15,16)17)5-6-12(14)7-13/h1-4,7,10,14H,5-6H2,(H2,15,16,17)
InChIKeyOILGWUKACLDUGC-UHFFFAOYSA-N
MW293.64 g/mol
LogP1.80
Rot. Bonds6

About [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid

[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid (PubChem CID 101411104) has the molecular formula C10H13ClNO5P and a molecular weight of 293.64 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
PubChem CID101411104
Molecular FormulaC10H13ClNO5P
Molecular Weight293.64 g/mol
Exact Mass293.02
IUPAC Name[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
SMILESO=CN(O)CCC(c1ccc(Cl)cc1)P(=O)(O)O
InChIInChI=1S/C10H13ClNO5P/c11-9-3-1-8(2-4-9)10(18(15,16)17)5-6-12(14)7-13/h1-4,7,10,14H,5-6H2,(H2,15,16,17)
InChIKeyOILGWUKACLDUGC-UHFFFAOYSA-N
XLogP1.80
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
1,4-dichlorobenzene;phosphoric acid
CID 175035024
[3-[(3-acetyloxybenzoyl)-hydroxyamino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
CID 71818539
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
4-[(R)-(4-chloroanilino)-diethoxyphosphorylmethyl]phenol;N,N-dimethylformamide
CID 139086862
2-bromo-2-(4-chlorophenyl)acetaldehyde
CID 54154255
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688
[2-(4-chlorophenyl)-2-oxoethyl]phosphonic acid
CID 70418776
1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol
CID 112509934

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid?
The IUPAC name of [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid (CID 101411104) is [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid.
What is the SMILES notation for [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid?
The canonical SMILES for [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid is O=CN(O)CCC(c1ccc(Cl)cc1)P(=O)(O)O.
What is the InChIKey of [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid?
The InChIKey is OILGWUKACLDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClNO5P/c11-9-3-1-8(2-4-9)10(18(15,16)17)5-6-12(14)7-13/h1-4,7,10,14H,5-6H2,(H2,15,16,17).
What are the key properties of [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid?
[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid has a molecular weight of 293.64 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid is sourced from PubChem (CID 101411104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).