1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea

C15H15ClFN3O — CID 107370312

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea
SMILESCC(N)c1ccc(NC(=O)Nc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFN3O/c1-9(18)10-2-4-13(5-3-10)19-15(21)20-14-7-11(16)6-12(17)8-14/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyNTGONWAQPOYVKM-UHFFFAOYSA-N
MW307.76 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea

1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea (PubChem CID 107370312) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea
PubChem CID107370312
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea
SMILESCC(N)c1ccc(NC(=O)Nc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFN3O/c1-9(18)10-2-4-13(5-3-10)19-15(21)20-14-7-11(16)6-12(17)8-14/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyNTGONWAQPOYVKM-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-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
2-amino-N-(3-chloro-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312862
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
1-(3-aminophenyl)-3-(3-chloro-5-fluorophenyl)urea
CID 107367193
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea (CID 107370312) is 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea is CC(N)c1ccc(NC(=O)Nc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea?
The InChIKey is NTGONWAQPOYVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-9(18)10-2-4-13(5-3-10)19-15(21)20-14-7-11(16)6-12(17)8-14/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-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-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea is sourced from PubChem (CID 107370312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).