N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide

C19H29FN4O — CID 119574006

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
SMILESCCN1CCN(c2ccc(C(=O)NC(C)(CN)C3CC3)cc2F)CC1
InChIInChI=1S/C19H29FN4O/c1-3-23-8-10-24(11-9-23)17-7-4-14(12-16(17)20)18(25)22-19(2,13-21)15-5-6-15/h4,7,12,15H,3,5-6,8-11,13,21H2,1-2H3,(H,22,25)
InChIKeyCWLQBJXULKPLFD-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.82
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide (PubChem CID 119574006) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
PubChem CID119574006
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
SMILESCCN1CCN(c2ccc(C(=O)NC(C)(CN)C3CC3)cc2F)CC1
InChIInChI=1S/C19H29FN4O/c1-3-23-8-10-24(11-9-23)17-7-4-14(12-16(17)20)18(25)22-19(2,13-21)15-5-6-15/h4,7,12,15H,3,5-6,8-11,13,21H2,1-2H3,(H,22,25)
InChIKeyCWLQBJXULKPLFD-UHFFFAOYSA-N
XLogP1.82
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4913
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CID 97269
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CID 14162480
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CID 46199074
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzamide
CID 126483567
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]-N-methylbenzamide
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N1-benzyl-4-(dimethylamino)-3,5-difluorobenzamide
CID 2804201

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide (CID 119574006) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide is CCN1CCN(c2ccc(C(=O)NC(C)(CN)C3CC3)cc2F)CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The InChIKey is CWLQBJXULKPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-3-23-8-10-24(11-9-23)17-7-4-14(12-16(17)20)18(25)22-19(2,13-21)15-5-6-15/h4,7,12,15H,3,5-6,8-11,13,21H2,1-2H3,(H,22,25).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide has a molecular weight of 348.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 119574006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).