N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide

C13H13ClN4O — CID 135209005

IUPACN,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide
SMILESN/N=C(\NN)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN4O/c14-10-4-6-11(7-5-10)19-12-3-1-2-9(8-12)13(17-15)18-16/h1-8H,15-16H2,(H,17,18)
InChIKeyCUHIIAWGJISGOS-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.22
Rot. Bonds3

About N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide

N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide (PubChem CID 135209005) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide
PubChem CID135209005
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide
SMILESN/N=C(\NN)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN4O/c14-10-4-6-11(7-5-10)19-12-3-1-2-9(8-12)13(17-15)18-16/h1-8H,15-16H2,(H,17,18)
InChIKeyCUHIIAWGJISGOS-UHFFFAOYSA-N
XLogP2.22
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone
CID 56612321
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 110000319
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
N-amino-3-methoxy-N'-phenylbenzenecarboximidamide
CID 61363522
3-(4-chlorophenoxy)-N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]benzamide
CID 162690764
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
1-(4-chlorophenyl)ethyl 3-phenoxybenzoate
CID 71466952
3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one
CID 54237286
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide?
The IUPAC name of N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide (CID 135209005) is N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide?
The canonical SMILES for N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide is N/N=C(\NN)c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide?
The InChIKey is CUHIIAWGJISGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-10-4-6-11(7-5-10)19-12-3-1-2-9(8-12)13(17-15)18-16/h1-8H,15-16H2,(H,17,18).
What are the key properties of N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide?
N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide has a molecular weight of 276.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-3-(4-chlorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 135209005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).