1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea

C14H15ClN2O3 — CID 99876562

IUPAC1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
SMILESCO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccco1
InChIInChI=1S/C14H15ClN2O3/c1-19-13(12-7-4-8-20-12)9-16-14(18)17-11-6-3-2-5-10(11)15/h2-8,13H,9H2,1H3,(H2,16,17,18)/t13-/m0/s1
InChIKeyDYUCCYHTPYDGKD-ZDUSSCGKSA-N
MW294.74 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea

1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 99876562) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID99876562
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
SMILESCO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccco1
InChIInChI=1S/C14H15ClN2O3/c1-19-13(12-7-4-8-20-12)9-16-14(18)17-11-6-3-2-5-10(11)15/h2-8,13H,9H2,1H3,(H2,16,17,18)/t13-/m0/s1
InChIKeyDYUCCYHTPYDGKD-ZDUSSCGKSA-N
XLogP3.44
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
CID 121145780
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110903965
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61354888
N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 99876513
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea (CID 99876562) is 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea is CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is DYUCCYHTPYDGKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-19-13(12-7-4-8-20-12)9-16-14(18)17-11-6-3-2-5-10(11)15/h2-8,13H,9H2,1H3,(H2,16,17,18)/t13-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 294.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 99876562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).