1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea

C15H15F2N3O — CID 61340178

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
SMILESCC(N)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H15F2N3O/c1-9(18)10-2-5-12(6-3-10)19-15(21)20-14-8-11(16)4-7-13(14)17/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyNFANZJFPIDVUPQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.63
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea

1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea (PubChem CID 61340178) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
PubChem CID61340178
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
SMILESCC(N)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H15F2N3O/c1-9(18)10-2-5-12(6-3-10)19-15(21)20-14-8-11(16)4-7-13(14)17/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyNFANZJFPIDVUPQ-UHFFFAOYSA-N
XLogP3.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.63
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-(3-chloro-5-fluorophenyl)urea
CID 107370312
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea (CID 61340178) is 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea is CC(N)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea?
The InChIKey is NFANZJFPIDVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9(18)10-2-5-12(6-3-10)19-15(21)20-14-8-11(16)4-7-13(14)17/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea has a molecular weight of 291.30 g/mol, XLogP of 3.63, 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-(2,5-difluorophenyl)urea is sourced from PubChem (CID 61340178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).