1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea

C19H21ClFN3O3 — CID 60580608

IUPAC1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea
SMILESCc1cc(Cl)ccc1OCCCNC(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O3/c1-13-11-15(20)5-8-17(13)27-10-2-9-22-19(26)24-23-18(25)12-14-3-6-16(21)7-4-14/h3-8,11H,2,9-10,12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyUFTBMXHDUFIBKI-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.13
Rot. Bonds7

About 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea

1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea (PubChem CID 60580608) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea.

Molecular Properties

Compound Name1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea
PubChem CID60580608
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea
SMILESCc1cc(Cl)ccc1OCCCNC(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O3/c1-13-11-15(20)5-8-17(13)27-10-2-9-22-19(26)24-23-18(25)12-14-3-6-16(21)7-4-14/h3-8,11H,2,9-10,12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyUFTBMXHDUFIBKI-UHFFFAOYSA-N
XLogP3.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 112976514
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538
4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
CID 47071541
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[(4-fluorophenyl)methyl]urea
CID 108882522

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
The IUPAC name of 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea (CID 60580608) is 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea.
What is the SMILES notation for 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
The canonical SMILES for 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea is Cc1cc(Cl)ccc1OCCCNC(=O)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
The InChIKey is UFTBMXHDUFIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-13-11-15(20)5-8-17(13)27-10-2-9-22-19(26)24-23-18(25)12-14-3-6-16(21)7-4-14/h3-8,11H,2,9-10,12H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea has a molecular weight of 393.85 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea is sourced from PubChem (CID 60580608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).