(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide

C20H21ClN2O — CID 110440837

IUPAC(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C/C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21ClN2O/c1-23(2)18-10-3-15(4-11-18)5-12-19(24)22-20(13-14-20)16-6-8-17(21)9-7-16/h3-12H,13-14H2,1-2H3,(H,22,24)/b12-5+
InChIKeySZIGOXDMGQSYFZ-LFYBBSHMSA-N
MW340.85 g/mol
LogP4.22
Rot. Bonds5

About (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide

(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide (PubChem CID 110440837) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
PubChem CID110440837
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C/C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21ClN2O/c1-23(2)18-10-3-15(4-11-18)5-12-19(24)22-20(13-14-20)16-6-8-17(21)9-7-16/h3-12H,13-14H2,1-2H3,(H,22,24)/b12-5+
InChIKeySZIGOXDMGQSYFZ-LFYBBSHMSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(dimethylamino)phenyl]-N-[1-(hydroxymethyl)cyclobutyl]prop-2-enamide
CID 115878274
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
CID 110440822
methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
CID 72685520
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(2R)-2-[3-[4-(dimethylamino)phenyl]prop-2-enoylamino]-3-methylbutanoic acid
CID 79009478
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide (CID 110440837) is (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide is CN(C)c1ccc(/C=C/C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The InChIKey is SZIGOXDMGQSYFZ-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-23(2)18-10-3-15(4-11-18)5-12-19(24)22-20(13-14-20)16-6-8-17(21)9-7-16/h3-12H,13-14H2,1-2H3,(H,22,24)/b12-5+.
What are the key properties of (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
(E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide has a molecular weight of 340.85 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 110440837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).