(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide

C9H11ClN2O2 — CID 159122040

IUPAC(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
SMILESNC(C[C@H](O)c1ccc(Cl)cc1)=NO
InChIInChI=1S/C9H11ClN2O2/c10-7-3-1-6(2-4-7)8(13)5-9(11)12-14/h1-4,8,13-14H,5H2,(H2,11,12)/t8-/m0/s1
InChIKeyKVXVDYBHRRPRCO-QMMMGPOBSA-N
MW214.65 g/mol
LogP1.51
Rot. Bonds3

About (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide

(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide (PubChem CID 159122040) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
PubChem CID159122040
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
SMILESNC(C[C@H](O)c1ccc(Cl)cc1)=NO
InChIInChI=1S/C9H11ClN2O2/c10-7-3-1-6(2-4-7)8(13)5-9(11)12-14/h1-4,8,13-14H,5H2,(H2,11,12)/t8-/m0/s1
InChIKeyKVXVDYBHRRPRCO-QMMMGPOBSA-N
XLogP1.51
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581
CID 89213423
CID 89213423
1-(4-chlorophenyl)-2-trimethylsilylethanol
CID 15709623
(3S)-3-(3,5-difluorophenyl)-N',3-dihydroxypropanimidamide
CID 158229210
3-[1-(4-chlorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77031281
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide
CID 156545587
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027152
[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl] methanesulfonate
CID 87403220
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl] methanesulfonate
CID 87788193

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide (CID 159122040) is (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide is NC(C[C@H](O)c1ccc(Cl)cc1)=NO.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide?
The InChIKey is KVXVDYBHRRPRCO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-3-1-6(2-4-7)8(13)5-9(11)12-14/h1-4,8,13-14H,5H2,(H2,11,12)/t8-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide?
(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide has a molecular weight of 214.65 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide is sourced from PubChem (CID 159122040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).