[(3-fluorophenyl)-phenylmethyl]urea

C14H13FN2O — CID 15151796

IUPAC[(3-fluorophenyl)-phenylmethyl]urea
SMILESNC(=O)NC(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O/c15-12-8-4-7-11(9-12)13(17-14(16)18)10-5-2-1-3-6-10/h1-9,13H,(H3,16,17,18)
InChIKeyZVIQILJPCAYHIJ-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.58
Rot. Bonds3

About [(3-fluorophenyl)-phenylmethyl]urea

[(3-fluorophenyl)-phenylmethyl]urea (PubChem CID 15151796) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is [(3-fluorophenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name[(3-fluorophenyl)-phenylmethyl]urea
PubChem CID15151796
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name[(3-fluorophenyl)-phenylmethyl]urea
SMILESNC(=O)NC(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O/c15-12-8-4-7-11(9-12)13(17-14(16)18)10-5-2-1-3-6-10/h1-9,13H,(H3,16,17,18)
InChIKeyZVIQILJPCAYHIJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
CID 1356900
(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 97050764
[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[(R)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041571
N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041570
1-[(S)-(3-fluorophenyl)-phenylmethyl]-3-[2-[(R)-methylsulfinyl]ethyl]urea
CID 96537523
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-phenylmethyl]urea?
The IUPAC name of [(3-fluorophenyl)-phenylmethyl]urea (CID 15151796) is [(3-fluorophenyl)-phenylmethyl]urea.
What is the SMILES notation for [(3-fluorophenyl)-phenylmethyl]urea?
The canonical SMILES for [(3-fluorophenyl)-phenylmethyl]urea is NC(=O)NC(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of [(3-fluorophenyl)-phenylmethyl]urea?
The InChIKey is ZVIQILJPCAYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-8-4-7-11(9-12)13(17-14(16)18)10-5-2-1-3-6-10/h1-9,13H,(H3,16,17,18).
What are the key properties of [(3-fluorophenyl)-phenylmethyl]urea?
[(3-fluorophenyl)-phenylmethyl]urea has a molecular weight of 244.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-phenylmethyl]urea is sourced from PubChem (CID 15151796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).