N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide

C23H25FN4O3 — CID 30704619

IUPACN-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C23H25FN4O3/c24-20-7-2-1-6-19(20)23(31)28-12-10-27(11-13-28)15-21(29)25-18-5-3-4-16(14-18)22(30)26-17-8-9-17/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,30)
InChIKeyLYZQMGDVDBFQKA-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.11
Rot. Bonds6

About N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 30704619) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID30704619
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C23H25FN4O3/c24-20-7-2-1-6-19(20)23(31)28-12-10-27(11-13-28)15-21(29)25-18-5-3-4-16(14-18)22(30)26-17-8-9-17/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,30)
InChIKeyLYZQMGDVDBFQKA-UHFFFAOYSA-N
XLogP2.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24665509
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 60508520
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
CID 23724353
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide (CID 30704619) is N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is LYZQMGDVDBFQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-20-7-2-1-6-19(20)23(31)28-12-10-27(11-13-28)15-21(29)25-18-5-3-4-16(14-18)22(30)26-17-8-9-17/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,30).
What are the key properties of N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 424.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30704619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).