N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide

C14H18ClN3O5 — CID 108528884

IUPACN'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCCCNC=O)c(OC)cc1Cl
InChIInChI=1S/C14H18ClN3O5/c1-22-11-7-10(12(23-2)6-9(11)15)18-14(21)13(20)17-5-3-4-16-8-19/h6-8H,3-5H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyFKUGRHCJSHXEQD-UHFFFAOYSA-N
MW343.77 g/mol
LogP0.55
Rot. Bonds8

About N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide (PubChem CID 108528884) has the molecular formula C14H18ClN3O5 and a molecular weight of 343.77 g/mol. Its IUPAC name is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
PubChem CID108528884
Molecular FormulaC14H18ClN3O5
Molecular Weight343.77 g/mol
Exact Mass343.09
IUPAC NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCCCNC=O)c(OC)cc1Cl
InChIInChI=1S/C14H18ClN3O5/c1-22-11-7-10(12(23-2)6-9(11)15)18-14(21)13(20)17-5-3-4-16-8-19/h6-8H,3-5H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyFKUGRHCJSHXEQD-UHFFFAOYSA-N
XLogP0.55
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
CID 108511953
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
ethane;methyl 4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]butanoate
CID 143811364
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N-[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 3846042
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532290
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526291
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
The IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide (CID 108528884) is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
The canonical SMILES for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide is COc1cc(NC(=O)C(=O)NCCCNC=O)c(OC)cc1Cl.
What is the InChIKey of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
The InChIKey is FKUGRHCJSHXEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O5/c1-22-11-7-10(12(23-2)6-9(11)15)18-14(21)13(20)17-5-3-4-16-8-19/h6-8H,3-5H2,1-2H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide has a molecular weight of 343.77 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide is sourced from PubChem (CID 108528884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).