1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea

C13H18F2N2O2 — CID 47377617

IUPAC1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)COc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-8(2)16-13(18)17-9(3)7-19-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3,(H2,16,17,18)
InChIKeyNNLFQMNQDNDHEV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.44
Rot. Bonds5

About 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea

1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea (PubChem CID 47377617) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
PubChem CID47377617
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)COc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-8(2)16-13(18)17-9(3)7-19-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3,(H2,16,17,18)
InChIKeyNNLFQMNQDNDHEV-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94594290
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
CID 99784636
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea (CID 47377617) is 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC(C)COc1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea?
The InChIKey is NNLFQMNQDNDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(2)16-13(18)17-9(3)7-19-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea?
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea has a molecular weight of 272.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 47377617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).