3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C19H21ClN2O2 — CID 110923423

IUPAC3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NCc1ccccc1-c1ccc(Cl)cc1)N(CCO)C1CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-7-5-14(6-8-16)18-4-2-1-3-15(18)13-21-19(24)22(11-12-23)17-9-10-17/h1-8,17,23H,9-13H2,(H,21,24)
InChIKeyOIUUGFXRCOUDRL-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.67
Rot. Bonds6

About 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110923423) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110923423
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NCc1ccccc1-c1ccc(Cl)cc1)N(CCO)C1CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-7-5-14(6-8-16)18-4-2-1-3-15(18)13-21-19(24)22(11-12-23)17-9-10-17/h1-8,17,23H,9-13H2,(H,21,24)
InChIKeyOIUUGFXRCOUDRL-UHFFFAOYSA-N
XLogP3.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110923275
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110895478
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
CID 110896011
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238
3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110901023
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110890631
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119768236
4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide
CID 146147204
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110923423) is 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(NCc1ccccc1-c1ccc(Cl)cc1)N(CCO)C1CC1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is OIUUGFXRCOUDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-7-5-14(6-8-16)18-4-2-1-3-15(18)13-21-19(24)22(11-12-23)17-9-10-17/h1-8,17,23H,9-13H2,(H,21,24).
What are the key properties of 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 344.84 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110923423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).