1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea

C16H23FN2O — CID 47032646

IUPAC1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
SMILESCc1cc(F)ccc1NC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-12-10-14(17)8-9-15(12)18-16(20)19(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyUMCBYYUHQBFVAU-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.18
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea

1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea (PubChem CID 47032646) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
PubChem CID47032646
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
SMILESCc1cc(F)ccc1NC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-12-10-14(17)8-9-15(12)18-16(20)19(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyUMCBYYUHQBFVAU-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
3-(2,4-dimethylphenyl)-1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 26400867
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63655148
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea (CID 47032646) is 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea is Cc1cc(F)ccc1NC(=O)N(C)CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea?
The InChIKey is UMCBYYUHQBFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-10-14(17)8-9-15(12)18-16(20)19(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20).
What are the key properties of 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea?
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea has a molecular weight of 278.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea is sourced from PubChem (CID 47032646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).