1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea

C12H17FN2O — CID 47015065

IUPAC1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-8(2)14-12(16)15-9(3)10-5-4-6-11(13)7-10/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyYFINHNCIKMFMSN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.59
Rot. Bonds3

About 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea

1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea (PubChem CID 47015065) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
PubChem CID47015065
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-8(2)14-12(16)15-9(3)10-5-4-6-11(13)7-10/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyYFINHNCIKMFMSN-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82846759
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
CID 94651497
1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94251748
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea (CID 47015065) is 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NC(C)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is YFINHNCIKMFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)14-12(16)15-9(3)10-5-4-6-11(13)7-10/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea?
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 224.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 47015065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).