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

C19H22F2N2O2 — CID 86943088

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O2/c1-12(9-14-5-4-6-16(10-14)25-3)22-19(24)23-13(2)15-7-8-17(20)18(21)11-15/h4-8,10-13H,9H2,1-3H3,(H2,22,23,24)
InChIKeyWPHLNLXHSHVMEZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.96
Rot. Bonds6

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

1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943088) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943088
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O2/c1-12(9-14-5-4-6-16(10-14)25-3)22-19(24)23-13(2)15-7-8-17(20)18(21)11-15/h4-8,10-13H,9H2,1-3H3,(H2,22,23,24)
InChIKeyWPHLNLXHSHVMEZ-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943111
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943132
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
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943088) is 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is COc1cccc(CC(C)NC(=O)NC(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is WPHLNLXHSHVMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-12(9-14-5-4-6-16(10-14)25-3)22-19(24)23-13(2)15-7-8-17(20)18(21)11-15/h4-8,10-13H,9H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 348.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).