3,5-dichloro-N'-propylbenzenecarboximidamide

C10H12Cl2N2 — CID 107918187

IUPAC3,5-dichloro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2/c1-2-3-14-10(13)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H2,13,14)
InChIKeyVTDXTWDFWXDDQO-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.11
Rot. Bonds3

About 3,5-dichloro-N'-propylbenzenecarboximidamide

3,5-dichloro-N'-propylbenzenecarboximidamide (PubChem CID 107918187) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 3,5-dichloro-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name3,5-dichloro-N'-propylbenzenecarboximidamide
PubChem CID107918187
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name3,5-dichloro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2/c1-2-3-14-10(13)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H2,13,14)
InChIKeyVTDXTWDFWXDDQO-UHFFFAOYSA-N
XLogP3.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-chloro-4-fluoro-N'-propylbenzenecarboximidamide
CID 63181342
3-bromo-N'-propylbenzenecarboximidamide
CID 62049964
N'-tert-butyl-3,5-dichlorobenzenecarboximidamide
CID 107918190
3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 107918188
N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide
CID 143625634
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
2-(N'-propylcarbamimidoyl)benzamide
CID 142215116
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181364
1-(2,4-dichlorophenyl)-2-propylguanidine
CID 62380712
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-propylguanidine
CID 62379615
4-methyl-N'-propylpyridine-2-carboximidamide
CID 63839800
2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
CID 66144205

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-propylbenzenecarboximidamide?
The IUPAC name of 3,5-dichloro-N'-propylbenzenecarboximidamide (CID 107918187) is 3,5-dichloro-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 3,5-dichloro-N'-propylbenzenecarboximidamide?
The canonical SMILES for 3,5-dichloro-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N'-propylbenzenecarboximidamide?
The InChIKey is VTDXTWDFWXDDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-2-3-14-10(13)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H2,13,14).
What are the key properties of 3,5-dichloro-N'-propylbenzenecarboximidamide?
3,5-dichloro-N'-propylbenzenecarboximidamide has a molecular weight of 231.13 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 107918187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).