1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea

C15H21ClN2O3 — CID 99841324

IUPAC1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
SMILESCOc1cc(NC(=O)N[C@H](C)C2CCOCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-10(11-5-7-21-8-6-11)17-15(19)18-12-3-4-13(16)14(9-12)20-2/h3-4,9-11H,5-8H2,1-2H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyZRZBTWQQNWKSNB-SNVBAGLBSA-N
MW312.80 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea

1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea (PubChem CID 99841324) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
PubChem CID99841324
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
SMILESCOc1cc(NC(=O)N[C@H](C)C2CCOCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-10(11-5-7-21-8-6-11)17-15(19)18-12-3-4-13(16)14(9-12)20-2/h3-4,9-11H,5-8H2,1-2H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyZRZBTWQQNWKSNB-SNVBAGLBSA-N
XLogP3.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(4-chloro-3-methoxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 136537892
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767
1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 124884907
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107622421
1-(4-chloro-3-methoxyphenyl)-3-(thian-4-yl)urea
CID 99841207
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829616
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]oxane-4-carboxamide
CID 112989722
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 75381215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea (CID 99841324) is 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea is COc1cc(NC(=O)N[C@H](C)C2CCOCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
The InChIKey is ZRZBTWQQNWKSNB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10(11-5-7-21-8-6-11)17-15(19)18-12-3-4-13(16)14(9-12)20-2/h3-4,9-11H,5-8H2,1-2H3,(H2,17,18,19)/t10-/m1/s1.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea?
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea has a molecular weight of 312.80 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 99841324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).