N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C16H16ClN3O3 — CID 108503034

IUPACN'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESNc1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c17-13-9-11(18)3-6-14(13)20-16(23)15(22)19-8-7-10-1-4-12(21)5-2-10/h1-6,9,21H,7-8,18H2,(H,19,22)(H,20,23)
InChIKeyIDTSCBYRIGBWPV-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.93
Rot. Bonds4

About N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503034) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503034
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESNc1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c17-13-9-11(18)3-6-14(13)20-16(23)15(22)19-8-7-10-1-4-12(21)5-2-10/h1-6,9,21H,7-8,18H2,(H,19,22)(H,20,23)
InChIKeyIDTSCBYRIGBWPV-UHFFFAOYSA-N
XLogP1.93
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-amino-2-chloroanilino)-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829205
4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503199
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
1-(2-chloro-4-methylphenyl)-3-[2-(4-hydroxyphenyl)ethyl]thiourea
CID 17312825
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503034) is N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is Nc1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is IDTSCBYRIGBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-9-11(18)3-6-14(13)20-16(23)15(22)19-8-7-10-1-4-12(21)5-2-10/h1-6,9,21H,7-8,18H2,(H,19,22)(H,20,23).
What are the key properties of N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 333.78 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).