ethyl 3-(3-chloroanilino)propanimidate

C11H15ClN2O — CID 134890828

IUPACethyl 3-(3-chloroanilino)propanimidate
SMILES[H]/N=C(/CCNc1cccc(Cl)c1)OCC
InChIInChI=1S/C11H15ClN2O/c1-2-15-11(13)6-7-14-10-5-3-4-9(12)8-10/h3-5,8,13-14H,2,6-7H2,1H3/b13-11-
InChIKeyMEROKIRGQYEXME-QBFSEMIESA-N
MW226.71 g/mol
LogP3.16
Rot. Bonds5

About ethyl 3-(3-chloroanilino)propanimidate

ethyl 3-(3-chloroanilino)propanimidate (PubChem CID 134890828) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is ethyl 3-(3-chloroanilino)propanimidate.

Molecular Properties

Compound Nameethyl 3-(3-chloroanilino)propanimidate
PubChem CID134890828
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Nameethyl 3-(3-chloroanilino)propanimidate
SMILES[H]/N=C(/CCNc1cccc(Cl)c1)OCC
InChIInChI=1S/C11H15ClN2O/c1-2-15-11(13)6-7-14-10-5-3-4-9(12)8-10/h3-5,8,13-14H,2,6-7H2,1H3/b13-11-
InChIKeyMEROKIRGQYEXME-QBFSEMIESA-N
XLogP3.16
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(3-methylanilino)propanimidate
CID 45097004
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
4-(3-chloroanilino)butanamide
CID 67066977
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
ethyl 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanimidate
CID 67070690
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
CID 12689988
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloroanilino)propanimidate?
The IUPAC name of ethyl 3-(3-chloroanilino)propanimidate (CID 134890828) is ethyl 3-(3-chloroanilino)propanimidate.
What is the SMILES notation for ethyl 3-(3-chloroanilino)propanimidate?
The canonical SMILES for ethyl 3-(3-chloroanilino)propanimidate is [H]/N=C(/CCNc1cccc(Cl)c1)OCC.
What is the InChIKey of ethyl 3-(3-chloroanilino)propanimidate?
The InChIKey is MEROKIRGQYEXME-QBFSEMIESA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-15-11(13)6-7-14-10-5-3-4-9(12)8-10/h3-5,8,13-14H,2,6-7H2,1H3/b13-11-.
What are the key properties of ethyl 3-(3-chloroanilino)propanimidate?
ethyl 3-(3-chloroanilino)propanimidate has a molecular weight of 226.71 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloroanilino)propanimidate is sourced from PubChem (CID 134890828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).