2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide

C23H25ClFN3O2 — CID 156686109

IUPAC2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide
SMILESC=C(N)C(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C23H25ClFN3O2/c1-15(26)23(30)28(18-11-7-8-16(25)14-18)21(19-12-5-6-13-20(19)24)22(29)27-17-9-3-2-4-10-17/h5-8,11-14,17,21H,1-4,9-10,26H2,(H,27,29)/t21-/m1/s1
InChIKeyYWZGBLBBUIRCPZ-OAQYLSRUSA-N
MW429.92 g/mol
LogP4.47
Rot. Bonds6

About 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide

2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide (PubChem CID 156686109) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide
PubChem CID156686109
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide
SMILESC=C(N)C(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C23H25ClFN3O2/c1-15(26)23(30)28(18-11-7-8-16(25)14-18)21(19-12-5-6-13-20(19)24)22(29)27-17-9-3-2-4-10-17/h5-8,11-14,17,21H,1-4,9-10,26H2,(H,27,29)/t21-/m1/s1
InChIKeyYWZGBLBBUIRCPZ-OAQYLSRUSA-N
XLogP4.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide (CID 156686109) is 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide is C=C(N)C(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide?
The InChIKey is YWZGBLBBUIRCPZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-15(26)23(30)28(18-11-7-8-16(25)14-18)21(19-12-5-6-13-20(19)24)22(29)27-17-9-3-2-4-10-17/h5-8,11-14,17,21H,1-4,9-10,26H2,(H,27,29)/t21-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide?
2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide has a molecular weight of 429.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 156686109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).