2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid

C19H18ClNO3 — CID 166021153

IUPAC2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C=C(/CCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H18ClNO3/c20-17-10-7-14(8-11-17)6-9-16(15-4-2-1-3-5-15)12-18(22)21-13-19(23)24/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)(H,23,24)/b16-12-
InChIKeyPXFOWLCRHLXCGF-VBKFSLOCSA-N
MW343.81 g/mol
LogP3.56
Rot. Bonds7

About 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid

2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid (PubChem CID 166021153) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid
PubChem CID166021153
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C=C(/CCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H18ClNO3/c20-17-10-7-14(8-11-17)6-9-16(15-4-2-1-3-5-15)12-18(22)21-13-19(23)24/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)(H,23,24)/b16-12-
InChIKeyPXFOWLCRHLXCGF-VBKFSLOCSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
CID 66759556
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
CID 131732159
(Z)-5-(3,4-dichlorophenyl)-3-phenylpent-2-enoic acid;5-(4-methylsulfanylphenyl)-3-phenylpent-2-enoic acid
CID 160591505
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
benzoyl iodide;3-phenylpropanoic acid
CID 143765725
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
2-benzamidoacetic acid;hydrofluoride
CID 174760685

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid (CID 166021153) is 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid is O=C(O)CNC(=O)/C=C(/CCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid?
The InChIKey is PXFOWLCRHLXCGF-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-17-10-7-14(8-11-17)6-9-16(15-4-2-1-3-5-15)12-18(22)21-13-19(23)24/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)(H,23,24)/b16-12-.
What are the key properties of 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid?
2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid has a molecular weight of 343.81 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoyl]amino]acetic acid is sourced from PubChem (CID 166021153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).