[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium

C14H14ClN2O+ — CID 148876031

IUPAC[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
SMILESCc1ccccc1NC(=O)Nc1cccc([ClH+])c1
InChIInChI=1S/C14H13ClN2O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9,15H,1H3,(H-,16,17,18)/p+1
InChIKeyPCCTZUUUMFZPMZ-UHFFFAOYSA-O
MW261.73 g/mol
LogP3.34
Rot. Bonds2

About [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium

[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium (PubChem CID 148876031) has the molecular formula C14H14ClN2O+ and a molecular weight of 261.73 g/mol. Its IUPAC name is [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium.

Molecular Properties

Compound Name[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
PubChem CID148876031
Molecular FormulaC14H14ClN2O+
Molecular Weight261.73 g/mol
Exact Mass261.08
IUPAC Name[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
SMILESCc1ccccc1NC(=O)Nc1cccc([ClH+])c1
InChIInChI=1S/C14H13ClN2O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9,15H,1H3,(H-,16,17,18)/p+1
InChIKeyPCCTZUUUMFZPMZ-UHFFFAOYSA-O
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium?
The IUPAC name of [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium (CID 148876031) is [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium.
What is the SMILES notation for [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium?
The canonical SMILES for [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium is Cc1ccccc1NC(=O)Nc1cccc([ClH+])c1.
What is the InChIKey of [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium?
The InChIKey is PCCTZUUUMFZPMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13ClN2O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9,15H,1H3,(H-,16,17,18)/p+1.
What are the key properties of [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium?
[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium has a molecular weight of 261.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium is sourced from PubChem (CID 148876031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).