1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C14H18F2N2O3 — CID 111618724

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NCC1(CO)CC1
InChIInChI=1S/C14H18F2N2O3/c15-12(16)21-11-3-1-2-10(6-11)7-17-13(20)18-8-14(9-19)4-5-14/h1-3,6,12,19H,4-5,7-9H2,(H2,17,18,20)
InChIKeyIVEMWXMGWUPNTM-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.86
Rot. Bonds7

About 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111618724) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111618724
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NCC1(CO)CC1
InChIInChI=1S/C14H18F2N2O3/c15-12(16)21-11-3-1-2-10(6-11)7-17-13(20)18-8-14(9-19)4-5-14/h1-3,6,12,19H,4-5,7-9H2,(H2,17,18,20)
InChIKeyIVEMWXMGWUPNTM-UHFFFAOYSA-N
XLogP1.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505510
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-benzylsulfanyl-N-[[3-(difluoromethoxy)phenyl]methyl]propanamide
CID 49336481
1-[1-(hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111618724) is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is O=C(NCc1cccc(OC(F)F)c1)NCC1(CO)CC1.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is IVEMWXMGWUPNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c15-12(16)21-11-3-1-2-10(6-11)7-17-13(20)18-8-14(9-19)4-5-14/h1-3,6,12,19H,4-5,7-9H2,(H2,17,18,20).
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 300.30 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111618724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).