2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C24H22BrClN2O3 — CID 10864039

IUPAC2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)/C(=N/c2ccc(Cl)cc2)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C24H22BrClN2O3/c1-30-21-12-3-16(15-22(21)31-2)13-14-27-24(29)23(17-4-6-18(25)7-5-17)28-20-10-8-19(26)9-11-20/h3-12,15H,13-14H2,1-2H3,(H,27,29)/b28-23+
InChIKeyAJSQGRDBZGBKFX-WEMUOSSPSA-N
MW501.81 g/mol
LogP5.60
Rot. Bonds8

About 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 10864039) has the molecular formula C24H22BrClN2O3 and a molecular weight of 501.81 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID10864039
Molecular FormulaC24H22BrClN2O3
Molecular Weight501.81 g/mol
Exact Mass500.05
IUPAC Name2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)/C(=N/c2ccc(Cl)cc2)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C24H22BrClN2O3/c1-30-21-12-3-16(15-22(21)31-2)13-14-27-24(29)23(17-4-6-18(25)7-5-17)28-20-10-8-19(26)9-11-20/h3-12,15H,13-14H2,1-2H3,(H,27,29)/b28-23+
InChIKeyAJSQGRDBZGBKFX-WEMUOSSPSA-N
XLogP5.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.81
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 154039597
(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 134292015
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
CID 73193276
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone
CID 110823596
3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide
CID 59105437
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)phenyl]-2-methylsulfanyliminoacetamide
CID 18405788
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412067
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 10864039) is 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)/C(=N/c2ccc(Cl)cc2)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is AJSQGRDBZGBKFX-WEMUOSSPSA-N. The full InChI is InChI=1S/C24H22BrClN2O3/c1-30-21-12-3-16(15-22(21)31-2)13-14-27-24(29)23(17-4-6-18(25)7-5-17)28-20-10-8-19(26)9-11-20/h3-12,15H,13-14H2,1-2H3,(H,27,29)/b28-23+.
What are the key properties of 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 501.81 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10864039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).