N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide

C17H18ClN3O3 — CID 108502199

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-6-5-13(18)8-14(15)21-17(23)16(22)20-10-12-4-2-3-11(7-12)9-19/h2-8H,9-10,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyUBURQFDFPJOOEV-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.06
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide (PubChem CID 108502199) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
PubChem CID108502199
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-6-5-13(18)8-14(15)21-17(23)16(22)20-10-12-4-2-3-11(7-12)9-19/h2-8H,9-10,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyUBURQFDFPJOOEV-UHFFFAOYSA-N
XLogP2.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
CID 117027311
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 121145738
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide (CID 108502199) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide?
The InChIKey is UBURQFDFPJOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-15-6-5-13(18)8-14(15)21-17(23)16(22)20-10-12-4-2-3-11(7-12)9-19/h2-8H,9-10,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide has a molecular weight of 347.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide is sourced from PubChem (CID 108502199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).