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

C17H27F2N3O2 — CID 111751065

IUPAC1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
SMILESCCN(CCNC(=O)NC(C)C(O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C17H27F2N3O2/c1-5-22(11(2)3)9-8-20-17(24)21-12(4)16(23)13-6-7-14(18)15(19)10-13/h6-7,10-12,16,23H,5,8-9H2,1-4H3,(H2,20,21,24)
InChIKeyDZRZHYZYGCMHNQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.42
Rot. Bonds8

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

1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea (PubChem CID 111751065) has the molecular formula C17H27F2N3O2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
PubChem CID111751065
Molecular FormulaC17H27F2N3O2
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Name1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
SMILESCCN(CCNC(=O)NC(C)C(O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C17H27F2N3O2/c1-5-22(11(2)3)9-8-20-17(24)21-12(4)16(23)13-6-7-14(18)15(19)10-13/h6-7,10-12,16,23H,5,8-9H2,1-4H3,(H2,20,21,24)
InChIKeyDZRZHYZYGCMHNQ-UHFFFAOYSA-N
XLogP2.42
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea with MolForge

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Related Compounds

1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 111751026
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111751108
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111751041
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
CID 86882347
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea
CID 111750934
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 111750886
2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-methylbutane-1-sulfonamide
CID 111753587
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 46620951
(1S,2R)-2-[[4-(diethylamino)phenyl]methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 124683676

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea (CID 111751065) is 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea is CCN(CCNC(=O)NC(C)C(O)c1ccc(F)c(F)c1)C(C)C.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
The InChIKey is DZRZHYZYGCMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O2/c1-5-22(11(2)3)9-8-20-17(24)21-12(4)16(23)13-6-7-14(18)15(19)10-13/h6-7,10-12,16,23H,5,8-9H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea has a molecular weight of 343.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea is sourced from PubChem (CID 111751065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).