2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate

C14H18Cl2N2O3 — CID 7493286

IUPAC2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
SMILESCCC/N=C(/NC(=O)c1ccc(Cl)c(Cl)c1)OCCOC
InChIInChI=1S/C14H18Cl2N2O3/c1-3-6-17-14(21-8-7-20-2)18-13(19)10-4-5-11(15)12(16)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,17,18,19)
InChIKeyXDWRLXYFWUVMNH-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.15
Rot. Bonds6

About 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate

2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate (PubChem CID 7493286) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
PubChem CID7493286
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
SMILESCCC/N=C(/NC(=O)c1ccc(Cl)c(Cl)c1)OCCOC
InChIInChI=1S/C14H18Cl2N2O3/c1-3-6-17-14(21-8-7-20-2)18-13(19)10-4-5-11(15)12(16)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,17,18,19)
InChIKeyXDWRLXYFWUVMNH-UHFFFAOYSA-N
XLogP3.15
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
CID 7283313
propyl N-(3,4-dichlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7418573
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
CID 7230477
ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
CID 7413412
methyl N-(3,4-dichlorobenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7261503
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238
3,4-dichloro-N,N'-dipropylbenzenecarboximidamide
CID 13354820
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
2-methoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylbenzoyl)carbamimidate
CID 3973914

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
The IUPAC name of 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate (CID 7493286) is 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate.
What is the SMILES notation for 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
The canonical SMILES for 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate is CCC/N=C(/NC(=O)c1ccc(Cl)c(Cl)c1)OCCOC.
What is the InChIKey of 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
The InChIKey is XDWRLXYFWUVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-3-6-17-14(21-8-7-20-2)18-13(19)10-4-5-11(15)12(16)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate has a molecular weight of 333.22 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate is sourced from PubChem (CID 7493286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).