N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide

C16H13ClN4O4 — CID 55751321

IUPACN'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C16H13ClN4O4/c17-13-6-11(4-3-10(13)7-18)21-16(24)15(23)20-9-14(22)19-8-12-2-1-5-25-12/h1-6H,8-9H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyPHQJQORFOLVJJN-UHFFFAOYSA-N
MW360.76 g/mol
LogP1.18
Rot. Bonds5

About N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide

N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide (PubChem CID 55751321) has the molecular formula C16H13ClN4O4 and a molecular weight of 360.76 g/mol. Its IUPAC name is N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide
PubChem CID55751321
Molecular FormulaC16H13ClN4O4
Molecular Weight360.76 g/mol
Exact Mass360.06
IUPAC NameN'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C16H13ClN4O4/c17-13-6-11(4-3-10(13)7-18)21-16(24)15(23)20-9-14(22)19-8-12-2-1-5-25-12/h1-6H,8-9H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyPHQJQORFOLVJJN-UHFFFAOYSA-N
XLogP1.18
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780784
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
3-(3-chloro-4-cyanophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
CID 87009116
N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
CID 670594
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
(Z)-2-cyano-3-(3,4-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863270
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide (CID 55751321) is N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide is N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide?
The InChIKey is PHQJQORFOLVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O4/c17-13-6-11(4-3-10(13)7-18)21-16(24)15(23)20-9-14(22)19-8-12-2-1-5-25-12/h1-6H,8-9H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide?
N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide has a molecular weight of 360.76 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 55751321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).