N'-(2-chloroanilino)-N,N-diethylethanimidamide

C12H18ClN3 — CID 25018588

IUPACN'-(2-chloroanilino)-N,N-diethylethanimidamide
SMILESCCN(CC)/C(C)=N/Nc1ccccc1Cl
InChIInChI=1S/C12H18ClN3/c1-4-16(5-2)10(3)14-15-12-9-7-6-8-11(12)13/h6-9,15H,4-5H2,1-3H3/b14-10+
InChIKeyJCVSQADEZLXNFZ-GXDHUFHOSA-N
MW239.75 g/mol
LogP3.43
Rot. Bonds4

About N'-(2-chloroanilino)-N,N-diethylethanimidamide

N'-(2-chloroanilino)-N,N-diethylethanimidamide (PubChem CID 25018588) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N'-(2-chloroanilino)-N,N-diethylethanimidamide.

Molecular Properties

Compound NameN'-(2-chloroanilino)-N,N-diethylethanimidamide
PubChem CID25018588
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN'-(2-chloroanilino)-N,N-diethylethanimidamide
SMILESCCN(CC)/C(C)=N/Nc1ccccc1Cl
InChIInChI=1S/C12H18ClN3/c1-4-16(5-2)10(3)14-15-12-9-7-6-8-11(12)13/h6-9,15H,4-5H2,1-3H3/b14-10+
InChIKeyJCVSQADEZLXNFZ-GXDHUFHOSA-N
XLogP3.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
[5-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]-2-hydroxyphenyl]methyl-diethylazanium
CID 135588219
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
CID 67958780
2-chloro-N-[1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline
CID 6819890

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroanilino)-N,N-diethylethanimidamide?
The IUPAC name of N'-(2-chloroanilino)-N,N-diethylethanimidamide (CID 25018588) is N'-(2-chloroanilino)-N,N-diethylethanimidamide.
What is the SMILES notation for N'-(2-chloroanilino)-N,N-diethylethanimidamide?
The canonical SMILES for N'-(2-chloroanilino)-N,N-diethylethanimidamide is CCN(CC)/C(C)=N/Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chloroanilino)-N,N-diethylethanimidamide?
The InChIKey is JCVSQADEZLXNFZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-4-16(5-2)10(3)14-15-12-9-7-6-8-11(12)13/h6-9,15H,4-5H2,1-3H3/b14-10+.
What are the key properties of N'-(2-chloroanilino)-N,N-diethylethanimidamide?
N'-(2-chloroanilino)-N,N-diethylethanimidamide has a molecular weight of 239.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroanilino)-N,N-diethylethanimidamide is sourced from PubChem (CID 25018588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).