(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide

C21H21ClN2O2 — CID 155278061

IUPAC(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-2-14-23-21(26)19(15-17-6-4-3-5-7-17)24-20(25)13-10-16-8-11-18(22)12-9-16/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,25)/b13-10+,19-15-
InChIKeyPIFYSNGRLUZMML-XIHFDNFTSA-N
MW368.86 g/mol
LogP4.04
Rot. Bonds7

About (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide

(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide (PubChem CID 155278061) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
PubChem CID155278061
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-2-14-23-21(26)19(15-17-6-4-3-5-7-17)24-20(25)13-10-16-8-11-18(22)12-9-16/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,25)/b13-10+,19-15-
InChIKeyPIFYSNGRLUZMML-XIHFDNFTSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.04
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

(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277964
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
2-[[(E)-3-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetate
CID 7381134
(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
CID 155277918
2-bromo-N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2928761
3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 7290554
3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl-dimethylazanium
CID 7263753
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide (CID 155278061) is (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide is CCCNC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide?
The InChIKey is PIFYSNGRLUZMML-XIHFDNFTSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-2-14-23-21(26)19(15-17-6-4-3-5-7-17)24-20(25)13-10-16-8-11-18(22)12-9-16/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,25)/b13-10+,19-15-.
What are the key properties of (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide?
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide has a molecular weight of 368.86 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide is sourced from PubChem (CID 155278061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).