(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone

C23H17Cl2NO3 — CID 110826567

IUPAC(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C23H17Cl2NO3/c1-28-20-11-10-14(12-18(20)25)22(27)23-21(16-7-3-5-9-19(16)29-23)26-13-15-6-2-4-8-17(15)24/h2-12,26H,13H2,1H3
InChIKeyIOAHEQQAMQXBLI-UHFFFAOYSA-N
MW426.30 g/mol
LogP6.59
Rot. Bonds6

About (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone

(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone (PubChem CID 110826567) has the molecular formula C23H17Cl2NO3 and a molecular weight of 426.30 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
PubChem CID110826567
Molecular FormulaC23H17Cl2NO3
Molecular Weight426.30 g/mol
Exact Mass425.06
IUPAC Name(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C23H17Cl2NO3/c1-28-20-11-10-14(12-18(20)25)22(27)23-21(16-7-3-5-9-19(16)29-23)26-13-15-6-2-4-8-17(15)24/h2-12,26H,13H2,1H3
InChIKeyIOAHEQQAMQXBLI-UHFFFAOYSA-N
XLogP6.59
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methoxyphenyl)-[3-[[(E)-3-phenylprop-2-enyl]amino]-1-benzofuran-2-yl]methanone
CID 110827505
(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110827348
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 18848009
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone (CID 110826567) is (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone is COc1ccc(C(=O)c2oc3ccccc3c2NCc2ccccc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone?
The InChIKey is IOAHEQQAMQXBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO3/c1-28-20-11-10-14(12-18(20)25)22(27)23-21(16-7-3-5-9-19(16)29-23)26-13-15-6-2-4-8-17(15)24/h2-12,26H,13H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone?
(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone has a molecular weight of 426.30 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 110826567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).