(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide

C20H20Cl2N2O2 — CID 97359708

IUPAC(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
SMILESC[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N2O2/c1-14(23-18(25)12-11-15-7-4-3-5-8-15)20(26)24(2)13-16-9-6-10-17(21)19(16)22/h3-12,14H,13H2,1-2H3,(H,23,25)/b12-11-/t14-/m1/s1
InChIKeyLNNOOWBIADOUEO-XMXAVACDSA-N
MW391.30 g/mol
LogP4.17
Rot. Bonds6

About (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide

(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 97359708) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID97359708
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
SMILESC[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N2O2/c1-14(23-18(25)12-11-15-7-4-3-5-8-15)20(26)24(2)13-16-9-6-10-17(21)19(16)22/h3-12,14H,13H2,1-2H3,(H,23,25)/b12-11-/t14-/m1/s1
InChIKeyLNNOOWBIADOUEO-XMXAVACDSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 55561197
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9393295
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
CID 103109148
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144545
N-[(3-chlorophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51163645

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide (CID 97359708) is (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide is C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is LNNOOWBIADOUEO-XMXAVACDSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-14(23-18(25)12-11-15-7-4-3-5-8-15)20(26)24(2)13-16-9-6-10-17(21)19(16)22/h3-12,14H,13H2,1-2H3,(H,23,25)/b12-11-/t14-/m1/s1.
What are the key properties of (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide?
(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 391.30 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 97359708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).