3-chloro-4-fluoro-N'-propylbenzenecarboximidamide

C10H12ClFN2 — CID 63181342

IUPAC3-chloro-4-fluoro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2/c1-2-5-14-10(13)7-3-4-9(12)8(11)6-7/h3-4,6H,2,5H2,1H3,(H2,13,14)
InChIKeyDTXLKUQHRLLVAD-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide

3-chloro-4-fluoro-N'-propylbenzenecarboximidamide (PubChem CID 63181342) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N'-propylbenzenecarboximidamide
PubChem CID63181342
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name3-chloro-4-fluoro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2/c1-2-5-14-10(13)7-3-4-9(12)8(11)6-7/h3-4,6H,2,5H2,1H3,(H2,13,14)
InChIKeyDTXLKUQHRLLVAD-UHFFFAOYSA-N
XLogP2.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.59
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

3,5-dichloro-N'-propylbenzenecarboximidamide
CID 107918187
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
tert-butyl N-[(Z)-[amino-(3-chloro-4-fluorophenyl)methylidene]amino]carbamate
CID 50998939
butyl 3-chloro-4-fluorobenzoate
CID 79020284
1-(2,4-dichlorophenyl)-2-propylguanidine
CID 62380712
ethyl 3-chloro-4-fluorobenzenecarboximidate chloride
CID 45108649
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-ethyl-4-fluorobenzamide
CID 82875675
N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
CID 20706455
[1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 77059894
[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 139080292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
The IUPAC name of 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide (CID 63181342) is 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
The InChIKey is DTXLKUQHRLLVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-2-5-14-10(13)7-3-4-9(12)8(11)6-7/h3-4,6H,2,5H2,1H3,(H2,13,14).
What are the key properties of 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
3-chloro-4-fluoro-N'-propylbenzenecarboximidamide has a molecular weight of 214.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 63181342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).