1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea

C20H21FN2O2 — CID 51934942

IUPAC1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
SMILESC[C@@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C20H21FN2O2/c1-13(16-9-5-6-10-17(16)21)22-20(24)23(3)14(2)19-12-15-8-4-7-11-18(15)25-19/h4-14H,1-3H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyBQFJOPHDNQRNFF-KGLIPLIRSA-N
MW340.40 g/mol
LogP5.04
Rot. Bonds4

About 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea (PubChem CID 51934942) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
PubChem CID51934942
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
SMILESC[C@@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C20H21FN2O2/c1-13(16-9-5-6-10-17(16)21)22-20(24)23(3)14(2)19-12-15-8-4-7-11-18(15)25-19/h4-14H,1-3H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyBQFJOPHDNQRNFF-KGLIPLIRSA-N
XLogP5.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea with MolForge

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Related Compounds

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934936
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55910328
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94120490
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea (CID 51934942) is 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea is C[C@@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1F.
What is the InChIKey of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is BQFJOPHDNQRNFF-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13(16-9-5-6-10-17(16)21)22-20(24)23(3)14(2)19-12-15-8-4-7-11-18(15)25-19/h4-14H,1-3H3,(H,22,24)/t13-,14+/m1/s1.
What are the key properties of 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea?
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 340.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 51934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).