3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide

C16H14ClNO2 — CID 175884852

IUPAC3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)
InChIKeyGXKVPAYIBNXDQR-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.42
Rot. Bonds5

About 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide

3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 175884852) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID175884852
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)
InChIKeyGXKVPAYIBNXDQR-UHFFFAOYSA-N
XLogP3.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.42
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

3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide
CID 5469774
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
(E)-N-(diaminomethylidene)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 84549562
N-[1-[4-[(3-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-ylidene]hydroxylamine
CID 141480396
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684573
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
(E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]prop-2-enamide
CID 170878016

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide (CID 175884852) is 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide is NC(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is GXKVPAYIBNXDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19).
What are the key properties of 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide?
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 175884852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).