N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C19H19FN4O3 — CID 42922981

IUPACN-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C19H19FN4O3/c1-12(22-19(26)15-4-3-11-27-15)18(25)23-16(17-21-9-10-24(17)2)13-5-7-14(20)8-6-13/h3-12,16H,1-2H3,(H,22,26)(H,23,25)
InChIKeyPALMYWWKAMYGEQ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.18
Rot. Bonds6

About N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 42922981) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID42922981
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C19H19FN4O3/c1-12(22-19(26)15-4-3-11-27-15)18(25)23-16(17-21-9-10-24(17)2)13-5-7-14(20)8-6-13/h3-12,16H,1-2H3,(H,22,26)(H,23,25)
InChIKeyPALMYWWKAMYGEQ-UHFFFAOYSA-N
XLogP2.18
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26077075
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 25344752
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31313716
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 42922981) is N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NC(c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is PALMYWWKAMYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12(22-19(26)15-4-3-11-27-15)18(25)23-16(17-21-9-10-24(17)2)13-5-7-14(20)8-6-13/h3-12,16H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42922981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).