1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea

C15H15ClFN3O — CID 61340020

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
SMILESCC(N)c1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H15ClFN3O/c1-9(18)10-3-2-4-11(7-10)19-15(21)20-12-5-6-14(17)13(16)8-12/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyJMIMQWIPZBXAOW-UHFFFAOYSA-N
MW307.76 g/mol
LogP4.14
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea (PubChem CID 61340020) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
PubChem CID61340020
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
SMILESCC(N)c1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H15ClFN3O/c1-9(18)10-3-2-4-11(7-10)19-15(21)20-12-5-6-14(17)13(16)8-12/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyJMIMQWIPZBXAOW-UHFFFAOYSA-N
XLogP4.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199
1-[3-(1-aminoethyl)phenyl]-3-(4-fluoro-2-iodophenyl)urea
CID 79762220
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea (CID 61340020) is 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea is CC(N)c1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea?
The InChIKey is JMIMQWIPZBXAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-9(18)10-3-2-4-11(7-10)19-15(21)20-12-5-6-14(17)13(16)8-12/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea has a molecular weight of 307.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea is sourced from PubChem (CID 61340020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).