1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea

C18H21F2N3O2 — CID 97020773

IUPAC1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
SMILESC[C@H](NC(=O)N(C)CC(F)F)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C18H21F2N3O2/c1-13(22-18(24)23(2)11-17(19)20)15-5-7-16(8-6-15)25-12-14-4-3-9-21-10-14/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1
InChIKeyFPTXHQVDUXDEPI-ZDUSSCGKSA-N
MW349.38 g/mol
LogP3.63
Rot. Bonds7

About 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea

1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea (PubChem CID 97020773) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
PubChem CID97020773
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
SMILESC[C@H](NC(=O)N(C)CC(F)F)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C18H21F2N3O2/c1-13(22-18(24)23(2)11-17(19)20)15-5-7-16(8-6-15)25-12-14-4-3-9-21-10-14/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1
InChIKeyFPTXHQVDUXDEPI-ZDUSSCGKSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]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-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide
CID 55706047
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
(E)-N-[1-(4-chlorophenyl)ethyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 42950724

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea (CID 97020773) is 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea is C[C@H](NC(=O)N(C)CC(F)F)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
The InChIKey is FPTXHQVDUXDEPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-13(22-18(24)23(2)11-17(19)20)15-5-7-16(8-6-15)25-12-14-4-3-9-21-10-14/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea has a molecular weight of 349.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 97020773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).