1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea

C18H20F2N2O2 — CID 60543351

IUPAC1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
SMILESCOc1c(F)cc(NC(=O)NC(C)CCc2ccccc2)cc1F
InChIInChI=1S/C18H20F2N2O2/c1-12(8-9-13-6-4-3-5-7-13)21-18(23)22-14-10-15(19)17(24-2)16(20)11-14/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23)
InChIKeyHGJGWSHOMUYATC-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.12
Rot. Bonds6

About 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea

1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea (PubChem CID 60543351) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
PubChem CID60543351
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
SMILESCOc1c(F)cc(NC(=O)NC(C)CCc2ccccc2)cc1F
InChIInChI=1S/C18H20F2N2O2/c1-12(8-9-13-6-4-3-5-7-13)21-18(23)22-14-10-15(19)17(24-2)16(20)11-14/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23)
InChIKeyHGJGWSHOMUYATC-UHFFFAOYSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea 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

1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
CID 142475732
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea (CID 60543351) is 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea is COc1c(F)cc(NC(=O)NC(C)CCc2ccccc2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea?
The InChIKey is HGJGWSHOMUYATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12(8-9-13-6-4-3-5-7-13)21-18(23)22-14-10-15(19)17(24-2)16(20)11-14/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea?
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea has a molecular weight of 334.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 60543351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).