1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea

C14H15ClN2O3 — CID 95986798

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccoc1
InChIInChI=1S/C14H15ClN2O3/c15-12-3-1-10(2-4-12)7-16-14(19)17-8-13(18)11-5-6-20-9-11/h1-6,9,13,18H,7-8H2,(H2,16,17,19)/t13-/m1/s1
InChIKeyWUGNJZMJXPPOBR-CYBMUJFWSA-N
MW294.74 g/mol
LogP2.47
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea

1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea (PubChem CID 95986798) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
PubChem CID95986798
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccoc1
InChIInChI=1S/C14H15ClN2O3/c15-12-3-1-10(2-4-12)7-16-14(19)17-8-13(18)11-5-6-20-9-11/h1-6,9,13,18H,7-8H2,(H2,16,17,19)/t13-/m1/s1
InChIKeyWUGNJZMJXPPOBR-CYBMUJFWSA-N
XLogP2.47
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
1-[(4-chlorophenyl)methyl]-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 71804506
1-[(4-chlorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106415
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
CID 110900450
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110903365
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986560

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea (CID 95986798) is 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea is O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccoc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea?
The InChIKey is WUGNJZMJXPPOBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-12-3-1-10(2-4-12)7-16-14(19)17-8-13(18)11-5-6-20-9-11/h1-6,9,13,18H,7-8H2,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea has a molecular weight of 294.74 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 95986798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).