1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea

C20H25ClN2O3 — CID 60594908

IUPAC1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
SMILESCOCCOc1c(Cl)cccc1NC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-15(11-12-16-7-4-3-5-8-16)22-20(24)23-18-10-6-9-17(21)19(18)26-14-13-25-2/h3-10,15H,11-14H2,1-2H3,(H2,22,23,24)
InChIKeyWMQZHKYWTJYWAP-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.51
Rot. Bonds9

About 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea

1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 60594908) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
PubChem CID60594908
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
SMILESCOCCOc1c(Cl)cccc1NC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-15(11-12-16-7-4-3-5-8-16)22-20(24)23-18-10-6-9-17(21)19(18)26-14-13-25-2/h3-10,15H,11-14H2,1-2H3,(H2,22,23,24)
InChIKeyWMQZHKYWTJYWAP-UHFFFAOYSA-N
XLogP4.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119753562
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
CID 47081673
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480081
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[3-(N-methylanilino)propyl]urea
CID 60594806
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
CID 60600676
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
CID 56820485
1-(2-chloro-5-methylsulfonylphenyl)-3-(4-phenylbutan-2-yl)urea
CID 51115168

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea (CID 60594908) is 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea is COCCOc1c(Cl)cccc1NC(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is WMQZHKYWTJYWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-15(11-12-16-7-4-3-5-8-16)22-20(24)23-18-10-6-9-17(21)19(18)26-14-13-25-2/h3-10,15H,11-14H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea?
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 376.88 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 60594908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).