1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea

C17H18F2N2O2 — CID 86943626

IUPAC1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O2/c1-11(8-12-4-3-5-14(9-12)23-2)20-17(22)21-13-6-7-15(18)16(19)10-13/h3-7,9-11H,8H2,1-2H3,(H2,20,21,22)
InChIKeyAISHJLMPBISFDZ-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.73
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea

1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943626) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943626
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O2/c1-11(8-12-4-3-5-14(9-12)23-2)20-17(22)21-13-6-7-15(18)16(19)10-13/h3-7,9-11H,8H2,1-2H3,(H2,20,21,22)
InChIKeyAISHJLMPBISFDZ-UHFFFAOYSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea
CID 86943708
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
CID 86941664
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-(4-cyclopentylsulfonylphenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943653
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943626) is 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea is COc1cccc(CC(C)NC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is AISHJLMPBISFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11(8-12-4-3-5-14(9-12)23-2)20-17(22)21-13-6-7-15(18)16(19)10-13/h3-7,9-11H,8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 320.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).