1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea

C16H15ClF2N2O3 — CID 51944880

IUPAC1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15ClF2N2O3/c17-11-3-1-2-10(8-11)14(22)9-20-16(23)21-12-4-6-13(7-5-12)24-15(18)19/h1-8,14-15,22H,9H2,(H2,20,21,23)/t14-/m1/s1
InChIKeyCSQUBEJAVWWBGX-CQSZACIVSA-N
MW356.76 g/mol
LogP3.80
Rot. Bonds6

About 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea

1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea (PubChem CID 51944880) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
PubChem CID51944880
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15ClF2N2O3/c17-11-3-1-2-10(8-11)14(22)9-20-16(23)21-12-4-6-13(7-5-12)24-15(18)19/h1-8,14-15,22H,9H2,(H2,20,21,23)/t14-/m1/s1
InChIKeyCSQUBEJAVWWBGX-CQSZACIVSA-N
XLogP3.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 95774476
1-(3-chloro-4-cyanophenyl)-3-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51945011
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
2-(3-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7858810

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea (CID 51944880) is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea is O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea?
The InChIKey is CSQUBEJAVWWBGX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c17-11-3-1-2-10(8-11)14(22)9-20-16(23)21-12-4-6-13(7-5-12)24-15(18)19/h1-8,14-15,22H,9H2,(H2,20,21,23)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea?
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea has a molecular weight of 356.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 51944880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).