1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

C17H17Cl2FN2O2 — CID 9440470

IUPAC1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2FN2O2/c1-10(13-7-16(20)15(19)8-14(13)18)22-17(23)21-9-11-3-5-12(24-2)6-4-11/h3-8,10H,9H2,1-2H3,(H2,21,22,23)/t10-/m1/s1
InChIKeyLYFPCGIILGCSNC-SNVBAGLBSA-N
MW371.24 g/mol
LogP4.70
Rot. Bonds5

About 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 9440470) has the molecular formula C17H17Cl2FN2O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID9440470
Molecular FormulaC17H17Cl2FN2O2
Molecular Weight371.24 g/mol
Exact Mass370.07
IUPAC Name1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2FN2O2/c1-10(13-7-16(20)15(19)8-14(13)18)22-17(23)21-9-11-3-5-12(24-2)6-4-11/h3-8,10H,9H2,1-2H3,(H2,21,22,23)/t10-/m1/s1
InChIKeyLYFPCGIILGCSNC-SNVBAGLBSA-N
XLogP4.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8639404
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41438087
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60580849
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(4-methoxybenzoyl)piperazine-1-carboxamide
CID 112831893
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55922918
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517836
1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 112764247
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 112823604
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119686419

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 9440470) is 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is LYFPCGIILGCSNC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2/c1-10(13-7-16(20)15(19)8-14(13)18)22-17(23)21-9-11-3-5-12(24-2)6-4-11/h3-8,10H,9H2,1-2H3,(H2,21,22,23)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 371.24 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 9440470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).