[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

C20H23FN3O2+ — CID 8905747

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H22FN3O2/c1-13(20(26)23-17-8-4-15(5-9-17)19(22)25)24(18-10-11-18)12-14-2-6-16(21)7-3-14/h2-9,13,18H,10-12H2,1H3,(H2,22,25)(H,23,26)/p+1/t13-/m1/s1
InChIKeyPUAHRNNQEPGDBO-CYBMUJFWSA-O
MW356.42 g/mol
LogP1.50
Rot. Bonds7

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 8905747) has the molecular formula C20H23FN3O2+ and a molecular weight of 356.42 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
PubChem CID8905747
Molecular FormulaC20H23FN3O2+
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H22FN3O2/c1-13(20(26)23-17-8-4-15(5-9-17)19(22)25)24(18-10-11-18)12-14-2-6-16(21)7-3-14/h2-9,13,18H,10-12H2,1H3,(H2,22,25)(H,23,26)/p+1/t13-/m1/s1
InChIKeyPUAHRNNQEPGDBO-CYBMUJFWSA-O
XLogP1.50
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905141
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915654
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915940
cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
CID 8905162
[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300274
4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (CID 8905747) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is PUAHRNNQEPGDBO-CYBMUJFWSA-O. The full InChI is InChI=1S/C20H22FN3O2/c1-13(20(26)23-17-8-4-15(5-9-17)19(22)25)24(18-10-11-18)12-14-2-6-16(21)7-3-14/h2-9,13,18H,10-12H2,1H3,(H2,22,25)(H,23,26)/p+1/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 356.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8905747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).