3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide

C14H17ClN2O — CID 76948159

IUPAC3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCCNC1CC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-1-11(2-5-12)3-8-14(18)17-10-9-16-13-6-7-13/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)
InChIKeyGLICTRYOFCUVBP-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.22
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide

3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide (PubChem CID 76948159) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
PubChem CID76948159
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCCNC1CC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-1-11(2-5-12)3-8-14(18)17-10-9-16-13-6-7-13/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)
InChIKeyGLICTRYOFCUVBP-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 55100390
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 55687392
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide
CID 68819108
3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 76946339
(E)-3-(4-chlorophenyl)-N-(pyrrolidin-3-ylmethyl)prop-2-enamide
CID 80562970

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide (CID 76948159) is 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCCNC1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide?
The InChIKey is GLICTRYOFCUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-4-1-11(2-5-12)3-8-14(18)17-10-9-16-13-6-7-13/h1-5,8,13,16H,6-7,9-10H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide has a molecular weight of 264.76 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 76948159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).