(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide

C21H24ClN3O — CID 108766005

IUPAC(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
SMILESCN1CCN(Cc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C21H24ClN3O/c1-24-11-13-25(14-12-24)16-18-5-8-20(9-6-18)23-21(26)10-7-17-3-2-4-19(22)15-17/h2-10,15H,11-14,16H2,1H3,(H,23,26)/b10-7+
InChIKeyGBRRMJWSHHWXCO-JXMROGBWSA-N
MW369.90 g/mol
LogP3.74
Rot. Bonds5

About (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide

(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide (PubChem CID 108766005) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
PubChem CID108766005
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
SMILESCN1CCN(Cc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C21H24ClN3O/c1-24-11-13-25(14-12-24)16-18-5-8-20(9-6-18)23-21(26)10-7-17-3-2-4-19(22)15-17/h2-10,15H,11-14,16H2,1H3,(H,23,26)/b10-7+
InChIKeyGBRRMJWSHHWXCO-JXMROGBWSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
CID 47048971
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-3-(3,4-dichlorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]prop-2-enamide
CID 108760689
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide (CID 108766005) is (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide is CN1CCN(Cc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
The InChIKey is GBRRMJWSHHWXCO-JXMROGBWSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-24-11-13-25(14-12-24)16-18-5-8-20(9-6-18)23-21(26)10-7-17-3-2-4-19(22)15-17/h2-10,15H,11-14,16H2,1H3,(H,23,26)/b10-7+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide has a molecular weight of 369.90 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 108766005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).