2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide

C17H15FN4O — CID 95179354

IUPAC2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c18-12-5-3-4-11(8-12)13-9-15(13)19-17(23)10-22-16-7-2-1-6-14(16)20-21-22/h1-8,13,15H,9-10H2,(H,19,23)/t13-,15-/m0/s1
InChIKeyCVCRSFSZLVPJFN-ZFWWWQNUSA-N
MW310.33 g/mol
LogP2.24
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide

2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide (PubChem CID 95179354) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide
PubChem CID95179354
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c18-12-5-3-4-11(8-12)13-9-15(13)19-17(23)10-22-16-7-2-1-6-14(16)20-21-22/h1-8,13,15H,9-10H2,(H,19,23)/t13-,15-/m0/s1
InChIKeyCVCRSFSZLVPJFN-ZFWWWQNUSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
CID 154577752
N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 71884287
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-[3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-3-oxopropyl]benzoic acid
CID 120613723
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 46820366
N-[3-[(2R,4S)-4-acetamidooxan-2-yl]phenyl]-2-(benzotriazol-1-yl)acetamide
CID 110129816
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
CID 120590455
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide (CID 95179354) is 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide is O=C(Cn1nnc2ccccc21)N[C@H]1C[C@H]1c1cccc(F)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide?
The InChIKey is CVCRSFSZLVPJFN-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-12-5-3-4-11(8-12)13-9-15(13)19-17(23)10-22-16-7-2-1-6-14(16)20-21-22/h1-8,13,15H,9-10H2,(H,19,23)/t13-,15-/m0/s1.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide?
2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide is sourced from PubChem (CID 95179354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).