1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea

C16H16ClFN2O2 — CID 29039114

IUPAC1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-10(11-3-6-13(22-2)7-4-11)19-16(21)20-15-8-5-12(17)9-14(15)18/h3-10H,1-2H3,(H2,19,20,21)/t10-/m1/s1
InChIKeyKNCMMYQZDLBEBR-SNVBAGLBSA-N
MW322.77 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea

1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea (PubChem CID 29039114) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
PubChem CID29039114
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-10(11-3-6-13(22-2)7-4-11)19-16(21)20-15-8-5-12(17)9-14(15)18/h3-10H,1-2H3,(H2,19,20,21)/t10-/m1/s1
InChIKeyKNCMMYQZDLBEBR-SNVBAGLBSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510319
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[1-(4-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886327
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116756
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100655140
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009986
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea (CID 29039114) is 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea is COc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is KNCMMYQZDLBEBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-10(11-3-6-13(22-2)7-4-11)19-16(21)20-15-8-5-12(17)9-14(15)18/h3-10H,1-2H3,(H2,19,20,21)/t10-/m1/s1.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea?
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 322.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 29039114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).