[(S)-(2-iodophenyl)-phenylmethyl]urea

C14H13IN2O — CID 1368454

IUPAC[(S)-(2-iodophenyl)-phenylmethyl]urea
SMILESNC(=O)N[C@@H](c1ccccc1)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1
InChIKeySMQPTSBELDFQCV-ZDUSSCGKSA-N
MW352.18 g/mol
LogP3.05
Rot. Bonds3

About [(S)-(2-iodophenyl)-phenylmethyl]urea

[(S)-(2-iodophenyl)-phenylmethyl]urea (PubChem CID 1368454) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is [(S)-(2-iodophenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name[(S)-(2-iodophenyl)-phenylmethyl]urea
PubChem CID1368454
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name[(S)-(2-iodophenyl)-phenylmethyl]urea
SMILESNC(=O)N[C@@H](c1ccccc1)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1
InChIKeySMQPTSBELDFQCV-ZDUSSCGKSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.05
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

[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
CID 871475
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-benzhydryl-2-iodobenzamide
CID 2255693
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
CID 867520
2-(2-iodophenyl)propanedioic acid
CID 172796761
1-[(S)-(2-fluorophenyl)-phenylmethyl]-3-[(R)-(2-fluorophenyl)-phenylmethyl]urea
CID 2249543
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
3-(2-iodophenyl)pentanediamide
CID 20546578

Frequently Asked Questions

What is the IUPAC name of [(S)-(2-iodophenyl)-phenylmethyl]urea?
The IUPAC name of [(S)-(2-iodophenyl)-phenylmethyl]urea (CID 1368454) is [(S)-(2-iodophenyl)-phenylmethyl]urea.
What is the SMILES notation for [(S)-(2-iodophenyl)-phenylmethyl]urea?
The canonical SMILES for [(S)-(2-iodophenyl)-phenylmethyl]urea is NC(=O)N[C@@H](c1ccccc1)c1ccccc1I.
What is the InChIKey of [(S)-(2-iodophenyl)-phenylmethyl]urea?
The InChIKey is SMQPTSBELDFQCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13IN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1.
What are the key properties of [(S)-(2-iodophenyl)-phenylmethyl]urea?
[(S)-(2-iodophenyl)-phenylmethyl]urea has a molecular weight of 352.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(2-iodophenyl)-phenylmethyl]urea is sourced from PubChem (CID 1368454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).