N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide

C17H18ClN3O2 — CID 108506084

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
SMILESNCc1cccc(CNC(=O)C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClN3O2/c18-15-7-2-1-6-14(15)11-21-17(23)16(22)20-10-13-5-3-4-12(8-13)9-19/h1-8H,9-11,19H2,(H,20,22)(H,21,23)
InChIKeyPJPNIQDRGJVBDF-UHFFFAOYSA-N
MW331.80 g/mol
LogP1.73
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide (PubChem CID 108506084) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
PubChem CID108506084
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
SMILESNCc1cccc(CNC(=O)C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClN3O2/c18-15-7-2-1-6-14(15)11-21-17(23)16(22)20-10-13-5-3-4-12(8-13)9-19/h1-8H,9-11,19H2,(H,20,22)(H,21,23)
InChIKeyPJPNIQDRGJVBDF-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
1-[[3-(aminomethyl)phenyl]methyl]-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883455
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108519038
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide (CID 108506084) is N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide is NCc1cccc(CNC(=O)C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is PJPNIQDRGJVBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-7-2-1-6-14(15)11-21-17(23)16(22)20-10-13-5-3-4-12(8-13)9-19/h1-8H,9-11,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 331.80 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 108506084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).