1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea

C19H23F2N3O — CID 51579414

IUPAC1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
SMILESCCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H23F2N3O/c1-3-24(4-2)18(14-8-6-5-7-9-14)13-22-19(25)23-17-11-10-15(20)12-16(17)21/h5-12,18H,3-4,13H2,1-2H3,(H2,22,23,25)/t18-/m0/s1
InChIKeyITWRHJPFYUJFSK-SFHVURJKSA-N
MW347.41 g/mol
LogP4.17
Rot. Bonds7

About 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea

1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea (PubChem CID 51579414) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
PubChem CID51579414
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
SMILESCCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H23F2N3O/c1-3-24(4-2)18(14-8-6-5-7-9-14)13-22-19(25)23-17-11-10-15(20)12-16(17)21/h5-12,18H,3-4,13H2,1-2H3,(H2,22,23,25)/t18-/m0/s1
InChIKeyITWRHJPFYUJFSK-SFHVURJKSA-N
XLogP4.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
CID 47032291
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55336212
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea (CID 51579414) is 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea is CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is ITWRHJPFYUJFSK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-3-24(4-2)18(14-8-6-5-7-9-14)13-22-19(25)23-17-11-10-15(20)12-16(17)21/h5-12,18H,3-4,13H2,1-2H3,(H2,22,23,25)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea?
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 347.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 51579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).