N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride

C18H28ClFN4O2 — CID 119616288

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C18H27FN4O2.ClH/c1-2-3-15(17(24)22-16(10-20)13-6-7-13)23-18(25)21-11-12-4-8-14(19)9-5-12;/h4-5,8-9,13,15-16H,2-3,6-7,10-11,20H2,1H3,(H,22,24)(H2,21,23,25);1H
InChIKeyDGJHDMDLSPZMBA-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.07
Rot. Bonds9

About N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride (PubChem CID 119616288) has the molecular formula C18H28ClFN4O2 and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
PubChem CID119616288
Molecular FormulaC18H28ClFN4O2
Molecular Weight386.90 g/mol
Exact Mass386.19
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C18H27FN4O2.ClH/c1-2-3-15(17(24)22-16(10-20)13-6-7-13)23-18(25)21-11-12-4-8-14(19)9-5-12;/h4-5,8-9,13,15-16H,2-3,6-7,10-11,20H2,1H3,(H,22,24)(H2,21,23,25);1H
InChIKeyDGJHDMDLSPZMBA-UHFFFAOYSA-N
XLogP2.07
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride (CID 119616288) is N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The InChIKey is DGJHDMDLSPZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2.ClH/c1-2-3-15(17(24)22-16(10-20)13-6-7-13)23-18(25)21-11-12-4-8-14(19)9-5-12;/h4-5,8-9,13,15-16H,2-3,6-7,10-11,20H2,1H3,(H,22,24)(H2,21,23,25);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 2.07, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride is sourced from PubChem (CID 119616288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).