N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide

C17H22FN5O — CID 54765643

IUPACN-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(Cc2ncc[nH]2)CC1)Nc1ccccc1F
InChIInChI=1S/C17H22FN5O/c18-14-4-1-2-5-15(14)21-17(24)13-23-9-3-8-22(10-11-23)12-16-19-6-7-20-16/h1-2,4-7H,3,8-13H2,(H,19,20)(H,21,24)
InChIKeyPJOOCZMOONFIIE-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.70
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 54765643) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide
PubChem CID54765643
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(Cc2ncc[nH]2)CC1)Nc1ccccc1F
InChIInChI=1S/C17H22FN5O/c18-14-4-1-2-5-15(14)21-17(24)13-23-9-3-8-22(10-11-23)12-16-19-6-7-20-16/h1-2,4-7H,3,8-13H2,(H,19,20)(H,21,24)
InChIKeyPJOOCZMOONFIIE-UHFFFAOYSA-N
XLogP1.70
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133417199
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533
2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417213
N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115963996
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide (CID 54765643) is N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(Cc2ncc[nH]2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is PJOOCZMOONFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c18-14-4-1-2-5-15(14)21-17(24)13-23-9-3-8-22(10-11-23)12-16-19-6-7-20-16/h1-2,4-7H,3,8-13H2,(H,19,20)(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 54765643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).