1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea

C14H14ClN3O — CID 5122456

IUPAC1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
SMILESNc1ccccc1CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c15-11-6-2-4-8-13(11)18-14(19)17-9-10-5-1-3-7-12(10)16/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyIDEKPYKTCHNQGR-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.24
Rot. Bonds3

About 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea

1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea (PubChem CID 5122456) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
PubChem CID5122456
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
SMILESNc1ccccc1CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c15-11-6-2-4-8-13(11)18-14(19)17-9-10-5-1-3-7-12(10)16/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyIDEKPYKTCHNQGR-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
2-[(2-chloroanilino)methyl]aniline
CID 66387029
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
1-[(4-carbamothioylphenyl)methyl]-3-(2-chlorophenyl)urea
CID 62311627
1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
CID 71809975
1-(2-aminophenyl)-3-benzylurea
CID 86135193
2-[2-(2-aminophenyl)ethoxy]-N-(2-chlorophenyl)acetamide
CID 102902564
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea (CID 5122456) is 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea is Nc1ccccc1CNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea?
The InChIKey is IDEKPYKTCHNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-6-2-4-8-13(11)18-14(19)17-9-10-5-1-3-7-12(10)16/h1-8H,9,16H2,(H2,17,18,19).
What are the key properties of 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea?
1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea has a molecular weight of 275.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 5122456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).