1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea

C14H12ClIN2O — CID 5171614

IUPAC1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1cccc(I)c1
InChIInChI=1S/C14H12ClIN2O/c15-11-6-4-10(5-7-11)9-17-14(19)18-13-3-1-2-12(16)8-13/h1-8H,9H2,(H2,17,18,19)
InChIKeyXVPMVZDJWABFNE-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.27
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea

1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea (PubChem CID 5171614) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
PubChem CID5171614
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1cccc(I)c1
InChIInChI=1S/C14H12ClIN2O/c15-11-6-4-10(5-7-11)9-17-14(19)18-13-3-1-2-12(16)8-13/h1-8H,9H2,(H2,17,18,19)
InChIKeyXVPMVZDJWABFNE-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-[(4-ethylsulfonylphenyl)methyl]-3-(3-iodophenyl)urea
CID 166202270
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
2-(2,4-dichlorophenyl)-N-(3-iodophenyl)acetamide
CID 7928403
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea (CID 5171614) is 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea is O=C(NCc1ccc(Cl)cc1)Nc1cccc(I)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea?
The InChIKey is XVPMVZDJWABFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c15-11-6-4-10(5-7-11)9-17-14(19)18-13-3-1-2-12(16)8-13/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea?
1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea has a molecular weight of 386.62 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea is sourced from PubChem (CID 5171614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).