methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate

C15H13Cl2N3O2 — CID 7230477

IUPACmethyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
SMILESCO/C(=N\Cc1ccccn1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-22-15(19-9-11-4-2-3-7-18-11)20-14(21)10-5-6-12(16)13(17)8-10/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyUYZOPTCCXBDYTP-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.32
Rot. Bonds3

About methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate

methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate (PubChem CID 7230477) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate.

Molecular Properties

Compound Namemethyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
PubChem CID7230477
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Namemethyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
SMILESCO/C(=N\Cc1ccccn1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-22-15(19-9-11-4-2-3-7-18-11)20-14(21)10-5-6-12(16)13(17)8-10/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyUYZOPTCCXBDYTP-UHFFFAOYSA-N
XLogP3.32
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-methylbenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
CID 7306857
methyl 4-[[N-(3-chlorophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamoyl]benzoate
CID 50818566
3-methoxy-N-[N-phenyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818075
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50817762
methyl 3-[[N-benzoyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate
CID 50818417
methyl N-(3,4-dichlorobenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7261503
N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide
CID 50818061
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7493286
4-chloro-N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818156
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914

Frequently Asked Questions

What is the IUPAC name of methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate?
The IUPAC name of methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate (CID 7230477) is methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate.
What is the SMILES notation for methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate?
The canonical SMILES for methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate is CO/C(=N\Cc1ccccn1)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate?
The InChIKey is UYZOPTCCXBDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-22-15(19-9-11-4-2-3-7-18-11)20-14(21)10-5-6-12(16)13(17)8-10/h2-8H,9H2,1H3,(H,19,20,21).
What are the key properties of methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate?
methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate has a molecular weight of 338.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate is sourced from PubChem (CID 7230477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).