2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C19H19FN6O2 — CID 55978479

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C19H19FN6O2/c20-16-7-5-14(6-8-16)9-22-19(28)23-10-18(27)25-17-4-2-1-3-15(17)11-26-13-21-12-24-26/h1-8,12-13H,9-11H2,(H,25,27)(H2,22,23,28)
InChIKeyLVVINMVPYYUJQK-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.90
Rot. Bonds7

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55978479) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID55978479
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C19H19FN6O2/c20-16-7-5-14(6-8-16)9-22-19(28)23-10-18(27)25-17-4-2-1-3-15(17)11-26-13-21-12-24-26/h1-8,12-13H,9-11H2,(H,25,27)(H2,22,23,28)
InChIKeyLVVINMVPYYUJQK-UHFFFAOYSA-N
XLogP1.90
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55932406
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
CID 86822053
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55619280
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 60573872
2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439500
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
2-(4-bromophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907752
3-(4-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 38755360
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 42952724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 55978479) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1Cn1cncn1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is LVVINMVPYYUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-16-7-5-14(6-8-16)9-22-19(28)23-10-18(27)25-17-4-2-1-3-15(17)11-26-13-21-12-24-26/h1-8,12-13H,9-11H2,(H,25,27)(H2,22,23,28).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 382.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55978479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).