1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea

C11H15ClN2O2 — CID 24528797

IUPAC1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-16-2)13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyHSNAMDNCUGKZRX-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.50
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea

1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea (PubChem CID 24528797) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
PubChem CID24528797
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-16-2)13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyHSNAMDNCUGKZRX-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-(3-ethynylphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812290
1-[(2R)-1-methoxypropan-2-yl]-3-(3-nitrophenyl)urea
CID 27870478
(E)-3-[3-(1-methoxypropan-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340549
1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
CID 64993875
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea (CID 24528797) is 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea?
The InChIKey is HSNAMDNCUGKZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(7-16-2)13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea?
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea has a molecular weight of 242.71 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 24528797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).