(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide

C23H28FN3O2 — CID 8834579

IUPAC(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H28FN3O2/c1-17(25-23(29)26-20-8-4-2-5-9-20)22(28)27(21-10-6-3-7-11-21)16-18-12-14-19(24)15-13-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H2,25,26,29)/t17-/m0/s1
InChIKeyZYZHUUKNBMKHOR-KRWDZBQOSA-N
MW397.49 g/mol
LogP4.70
Rot. Bonds6

About (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide

(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 8834579) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID8834579
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H28FN3O2/c1-17(25-23(29)26-20-8-4-2-5-9-20)22(28)27(21-10-6-3-7-11-21)16-18-12-14-19(24)15-13-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H2,25,26,29)/t17-/m0/s1
InChIKeyZYZHUUKNBMKHOR-KRWDZBQOSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide (CID 8834579) is (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide is C[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is ZYZHUUKNBMKHOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17(25-23(29)26-20-8-4-2-5-9-20)22(28)27(21-10-6-3-7-11-21)16-18-12-14-19(24)15-13-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H2,25,26,29)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 397.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 8834579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).