3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea

C19H21ClN2O2 — CID 111790491

IUPAC3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
SMILESCc1c(Cl)cccc1NC(=O)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C19H21ClN2O2/c1-13-16(20)7-4-8-17(13)21-19(24)22(11-12-23)18-10-9-14-5-2-3-6-15(14)18/h2-8,18,23H,9-12H2,1H3,(H,21,24)
InChIKeyXLLTTWNXLKFANP-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.16
Rot. Bonds4

About 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea

3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea (PubChem CID 111790491) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
PubChem CID111790491
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
SMILESCc1c(Cl)cccc1NC(=O)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C19H21ClN2O2/c1-13-16(20)7-4-8-17(13)21-19(24)22(11-12-23)18-10-9-14-5-2-3-6-15(14)18/h2-8,18,23H,9-12H2,1H3,(H,21,24)
InChIKeyXLLTTWNXLKFANP-UHFFFAOYSA-N
XLogP4.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790504
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
CID 52528168
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
3-(6-chloro-3-pyridinyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111383083
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(3-nitrophenyl)urea
CID 71931096
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
CID 51128665
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
3-(dicyclopropylmethyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793689
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea (CID 111790491) is 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea is Cc1c(Cl)cccc1NC(=O)N(CCO)C1CCc2ccccc21.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is XLLTTWNXLKFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-16(20)7-4-8-17(13)21-19(24)22(11-12-23)18-10-9-14-5-2-3-6-15(14)18/h2-8,18,23H,9-12H2,1H3,(H,21,24).
What are the key properties of 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 344.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111790491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).