(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide

C12H14ClNO2 — CID 43418514

IUPAC(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
SMILESCC(O)CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-9(15)8-14-12(16)6-5-10-3-2-4-11(13)7-10/h2-7,9,15H,8H2,1H3,(H,14,16)/b6-5+
InChIKeyRCDAAHRJRLBQCF-AATRIKPKSA-N
MW239.70 g/mol
LogP1.85
Rot. Bonds4

About (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide (PubChem CID 43418514) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
PubChem CID43418514
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
SMILESCC(O)CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-9(15)8-14-12(16)6-5-10-3-2-4-11(13)7-10/h2-7,9,15H,8H2,1H3,(H,14,16)/b6-5+
InChIKeyRCDAAHRJRLBQCF-AATRIKPKSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.85
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

(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 103771519
(E)-3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]prop-2-enamide
CID 83058983
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011048
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975676
(E)-3-(2-chloro-6-fluorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418406
(E)-3-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059477

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide (CID 43418514) is (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide is CC(O)CNC(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
The InChIKey is RCDAAHRJRLBQCF-AATRIKPKSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-9(15)8-14-12(16)6-5-10-3-2-4-11(13)7-10/h2-7,9,15H,8H2,1H3,(H,14,16)/b6-5+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide has a molecular weight of 239.70 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 43418514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).