1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea

C16H16FN3O2 — CID 167014670

IUPAC1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H16FN3O2/c1-11-7-8-13(17)9-14(11)19-16(22)20(15(18)21)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeySNJSGKCNPCLZES-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.25
Rot. Bonds3

About 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea

1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 167014670) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea
PubChem CID167014670
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H16FN3O2/c1-11-7-8-13(17)9-14(11)19-16(22)20(15(18)21)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeySNJSGKCNPCLZES-UHFFFAOYSA-N
XLogP3.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
benzyl N-[(2S,3S)-1-(5-fluoro-2-methylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611353
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
1-benzyl-3-(2-cyano-4-fluorophenyl)-1-methylurea
CID 78839682
2-[2-(5-fluoro-2-methylanilino)-2-oxoethoxy]benzamide
CID 18100358
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
(dibenzylamino) N-[3-[(dibenzylamino)oxycarbonylamino]-4-methylphenyl]carbamate
CID 15180712

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea (CID 167014670) is 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea is Cc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C(N)=O.
What is the InChIKey of 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is SNJSGKCNPCLZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-7-8-13(17)9-14(11)19-16(22)20(15(18)21)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea?
1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 301.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 167014670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).