N,N,N'-trichloro-4-methylbenzenecarboximidamide

C8H7Cl3N2 — CID 11630059

IUPACN,N,N'-trichloro-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(=N\Cl)N(Cl)Cl)cc1
InChIInChI=1S/C8H7Cl3N2/c1-6-2-4-7(5-3-6)8(12-9)13(10)11/h2-5H,1H3/b12-8+
InChIKeyKXENFCQINFLXLV-XYOKQWHBSA-N
MW237.52 g/mol
LogP3.51
Rot. Bonds1

About N,N,N'-trichloro-4-methylbenzenecarboximidamide

N,N,N'-trichloro-4-methylbenzenecarboximidamide (PubChem CID 11630059) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is N,N,N'-trichloro-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N,N'-trichloro-4-methylbenzenecarboximidamide
PubChem CID11630059
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC NameN,N,N'-trichloro-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(=N\Cl)N(Cl)Cl)cc1
InChIInChI=1S/C8H7Cl3N2/c1-6-2-4-7(5-3-6)8(12-9)13(10)11/h2-5H,1H3/b12-8+
InChIKeyKXENFCQINFLXLV-XYOKQWHBSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diamino-N,4-dimethylbenzenecarboximidamide
CID 15721514
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 85344533
4-methylbenzoyl chloride
CID 13405
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
copper(1+);4-methylthiobenzate
CID 13131237
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
ethane;methanol;1,4-xylene
CID 171074418
(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride
CID 11022385
(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trichloro-4-methylbenzenecarboximidamide?
The IUPAC name of N,N,N'-trichloro-4-methylbenzenecarboximidamide (CID 11630059) is N,N,N'-trichloro-4-methylbenzenecarboximidamide.
What is the SMILES notation for N,N,N'-trichloro-4-methylbenzenecarboximidamide?
The canonical SMILES for N,N,N'-trichloro-4-methylbenzenecarboximidamide is Cc1ccc(/C(=N\Cl)N(Cl)Cl)cc1.
What is the InChIKey of N,N,N'-trichloro-4-methylbenzenecarboximidamide?
The InChIKey is KXENFCQINFLXLV-XYOKQWHBSA-N. The full InChI is InChI=1S/C8H7Cl3N2/c1-6-2-4-7(5-3-6)8(12-9)13(10)11/h2-5H,1H3/b12-8+.
What are the key properties of N,N,N'-trichloro-4-methylbenzenecarboximidamide?
N,N,N'-trichloro-4-methylbenzenecarboximidamide has a molecular weight of 237.52 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trichloro-4-methylbenzenecarboximidamide is sourced from PubChem (CID 11630059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).