[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate

C22H18ClNO3 — CID 163940283

IUPAC[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(N(c2ccc(Cl)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C22H18ClNO3/c1-3-22(25)27-21-9-5-7-19(15-21)24(17-12-10-16(23)11-13-17)18-6-4-8-20(14-18)26-2/h3-15H,1H2,2H3
InChIKeyRQJUQZCHKXPZCU-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.91
Rot. Bonds6

About [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate

[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate (PubChem CID 163940283) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
PubChem CID163940283
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(N(c2ccc(Cl)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C22H18ClNO3/c1-3-22(25)27-21-9-5-7-19(15-21)24(17-12-10-16(23)11-13-17)18-6-4-8-20(14-18)26-2/h3-15H,1H2,2H3
InChIKeyRQJUQZCHKXPZCU-UHFFFAOYSA-N
XLogP5.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-chloro-N-(3-prop-2-enoyloxyphenyl)anilino)phenyl] prop-2-enoate
CID 59832753
[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate
CID 163477800
[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
CID 59832803
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[3-[N-methyl-4-[4-(N-methyl-3-prop-2-enoyloxyanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 22089770
[3-(N-(3,4-dimethylphenyl)-3-formyloxyanilino)phenyl] prop-2-enoate
CID 90291391
(3-chlorophenyl) prop-2-enoate
CID 10241458
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
CID 58876576
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate?
The IUPAC name of [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate (CID 163940283) is [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate.
What is the SMILES notation for [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate?
The canonical SMILES for [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate is C=CC(=O)Oc1cccc(N(c2ccc(Cl)cc2)c2cccc(OC)c2)c1.
What is the InChIKey of [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate?
The InChIKey is RQJUQZCHKXPZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-3-22(25)27-21-9-5-7-19(15-21)24(17-12-10-16(23)11-13-17)18-6-4-8-20(14-18)26-2/h3-15H,1H2,2H3.
What are the key properties of [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate?
[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate has a molecular weight of 379.84 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate is sourced from PubChem (CID 163940283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).