(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide

C17H22FN5O2 — CID 95278065

IUPAC(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C17H22FN5O2/c1-4-7-20-16(24)11(2)21-17(25)22-13-5-6-15(14(18)10-13)23-9-8-19-12(23)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,24)(H2,21,22,25)/t11-/m1/s1
InChIKeyBOWDAUCMMIGIDO-LLVKDONJSA-N
MW347.39 g/mol
LogP2.36
Rot. Bonds6

About (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide

(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide (PubChem CID 95278065) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
PubChem CID95278065
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C17H22FN5O2/c1-4-7-20-16(24)11(2)21-17(25)22-13-5-6-15(14(18)10-13)23-9-8-19-12(23)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,24)(H2,21,22,25)/t11-/m1/s1
InChIKeyBOWDAUCMMIGIDO-LLVKDONJSA-N
XLogP2.36
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide (CID 95278065) is (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2ccnc2C)c(F)c1.
What is the InChIKey of (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
The InChIKey is BOWDAUCMMIGIDO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-4-7-20-16(24)11(2)21-17(25)22-13-5-6-15(14(18)10-13)23-9-8-19-12(23)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,24)(H2,21,22,25)/t11-/m1/s1.
What are the key properties of (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide?
(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide has a molecular weight of 347.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 95278065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).