N-amino-4-chloro-N'-methylbenzenecarboximidamide

C8H10ClN3 — CID 61361047

IUPACN-amino-4-chloro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-11-8(12-10)6-2-4-7(9)5-3-6/h2-5H,10H2,1H3,(H,11,12)
InChIKeyKQBPOLHNWZGFSG-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.18
Rot. Bonds1

About N-amino-4-chloro-N'-methylbenzenecarboximidamide

N-amino-4-chloro-N'-methylbenzenecarboximidamide (PubChem CID 61361047) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is N-amino-4-chloro-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-chloro-N'-methylbenzenecarboximidamide
PubChem CID61361047
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC NameN-amino-4-chloro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-11-8(12-10)6-2-4-7(9)5-3-6/h2-5H,10H2,1H3,(H,11,12)
InChIKeyKQBPOLHNWZGFSG-UHFFFAOYSA-N
XLogP1.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide
CID 61363432
4-chloro-N,N'-dihydroxybenzenecarboximidamide
CID 165349472
N,N'-diamino-4-methylbenzenecarboximidamide
CID 15721498
2-(4-chlorophenyl)-2-oxoacetohydrazide
CID 163907159
N-amino-3-(dimethylamino)-N'-methylbenzenecarboximidamide
CID 61362479
1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide
CID 61361467
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
N-amino-2,4-difluoro-N'-methylbenzenecarboximidamide
CID 61360850
1-[C-(4-chlorophenyl)-N-methylcarbonimidoyl]-3-(4-propylphenyl)thiourea
CID 154336441
4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide
CID 167173997
N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide
CID 135209005

Frequently Asked Questions

What is the IUPAC name of N-amino-4-chloro-N'-methylbenzenecarboximidamide?
The IUPAC name of N-amino-4-chloro-N'-methylbenzenecarboximidamide (CID 61361047) is N-amino-4-chloro-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-chloro-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-chloro-N'-methylbenzenecarboximidamide is C/N=C(\NN)c1ccc(Cl)cc1.
What is the InChIKey of N-amino-4-chloro-N'-methylbenzenecarboximidamide?
The InChIKey is KQBPOLHNWZGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-11-8(12-10)6-2-4-7(9)5-3-6/h2-5H,10H2,1H3,(H,11,12).
What are the key properties of N-amino-4-chloro-N'-methylbenzenecarboximidamide?
N-amino-4-chloro-N'-methylbenzenecarboximidamide has a molecular weight of 183.64 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-chloro-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 61361047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).